(Q27108312)

Gene Ontology release 2020-05-02

Rhea release 113

mass

458.375995±0 dalton

1 reference

Soyasapogenol B (English)

(3S,4S,4aS,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

5 October 2016

stereoisomer of

1 reference

(3S,4R,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

inferred from InChI

1 reference

(3S,4S,4aS,6aR,6bS,8aR,9R,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₃₀H₅₀O₃

1 reference

Soyasapogenol B (English)

19 November 2016

canonical SMILES

CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C

1 reference

Soyasapogenol B (English)

19 November 2016

isomeric SMILES

C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(C[C@H]5O)(C)C)C)C)C)(C)CO)O

1 reference

Alfalfa saponins and sapogenins: Isolation and quantification in two different cultivars

Soyasapogenol B (English)

19 November 2016

3 references

Medicagenic acid and saponins in callus and suspension cultures of alfalfa

Reinvestigation of the sapogenins and prosapogenins from alfalfa (Medicago sativa)

Abrus melanospermus

1 reference

Isolation and structural elucidation of some sapogenols from Abrus cantoniensis

Lupinus verbasciformis

1 reference

Chemical studies on the constituents of Lupinus verbasciformis

Melilotus officinalis

1 reference

Soyasapogenols B and E fromMelilotus officinalis

Phaseolus vulgaris

1 reference

Phytosterols and Triterpenes in the Roots of the “Kidney Bean” (Phaseolus vulgarisL.)

Ulex parviflorus

3 references

A pterocarpan from Ulex parviflorus

A pterocarpan from Ulex parviflorus

A pterocarpan from Ulex parviflorus

Astragalus danicus

1 reference

Roles for Secondary Metabolites in Plants

Astragalus membranaceus

2 references

Saponin and sapogenol. XXXIV. Chemical constituents of astragali radix, the root of Astragalus membranaceus Bunge. (1). Cycloastragenol, the 9,19-cyclolanostane-type aglycone of astragalosides, and the artifact aglycone astragenol.

Saponin and sapogenol. XXXIV. Chemical constituents of astragali radix, the root of Astragalus membranaceus Bunge. (1). Cycloastragenol, the 9,19-cyclolanostane-type aglycone of astragalosides, and the artifact aglycone astragenol.

Astragalus trimestris

2 references

Saponin and sapogenol. XXXIV. Chemical constituents of astragali radix, the root of Astragalus membranaceus Bunge. (1). Cycloastragenol, the 9,19-cyclolanostane-type aglycone of astragalosides, and the artifact aglycone astragenol.

Saponin and sapogenol. XXXIV. Chemical constituents of astragali radix, the root of Astragalus membranaceus Bunge. (1). Cycloastragenol, the 9,19-cyclolanostane-type aglycone of astragalosides, and the artifact aglycone astragenol.

Canavalia ensiformis

1 reference

Anti-nutritional constituents of six underutilized legumes grown in Nigeria.

Delphinium barbeyi

1 reference

New triterpenoid sapogenols from Abrus cantoniensis. I.

Erythrina sigmoidea

2 references

Triterpenoid saponins from Erythrina sigmoidea

Triterpenoid saponins from Erythrina sigmoidea

Erythrina subumbrans

2 references

Erythrina alkaloids and a pterocarpan from the bark of Erythrina subumbrans

Erythrina alkaloids and a pterocarpan from the bark of Erythrina subumbrans

soybean

3 references

Analysis of soybean sapogenins by high-performance liquid chromatography

High-Pressure Liquid Chromatography, Nuclear Magnetic Resonance and Mass Spectra of Biosynthetic Soyasapogenols

[Saponin and sapogenol. XLIV. Soyasaponin composition in soybeans of various origins and soyasaponin content in various organs of soybean. Structure of soyasaponin V from soybean hypocotyl]

Medicago lupulina

2 references

Studies on Medicago lupulina saponins. 2. Isolation, chemical characterization and biological activity of saponins from M. lupulina tops

Studies on Medicago lupulina saponins. 6. Some chemical characteristics and biological activity of root saponins

Medicago truncatula

1 reference

Medicagenic acid and saponins in callus and suspension cultures of alfalfa

Oxytropis falcata

2 references

24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata

24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata

snap bean

1 reference

Lipids and Saponins ofPhaseolus coccineus

Streptomyces

1 reference

Production of oleanene triterpenes by Streptomyces.

Trifolium pratense

1 reference

Isolation, chemical characterization and biological activity of red clover (Trifolium pratense L.) root saponins

Vigna angularis

2 references

Saponin and sapogenol. XXXI. Chemical constituents of the seeds of Vigna angularis (Willd.) Ohwi et Ohashi. (1). Triterpenoidal sapogenols and 3-furanmethanol .BETA.-D-glucopyranoside.

Saponin and sapogenol. XXXI. Chemical constituents of the seeds of Vigna angularis (Willd.) Ohwi et Ohashi. (1). Triterpenoidal sapogenols and 3-furanmethanol .BETA.-D-glucopyranoside.

Wisteria brachybotrys

1 reference

Studies on the constituents of leguminous plants. XI. The structures of new triterpenoids from Wistaria brachybotrys Sieb. et Zucc.

Lupinus oreophilus

1 reference

Triterpenoidal lupin saponins from the Chilean legume Lupinus oreophilus Phil

Melilotus messanensis

2 references

Triterpenoids from Melilotus messanensis; soyasapogenol G, the first natural carbonate derivative

Bioactive Steroids and Triterpenes from Melilotus messanensis and Their Allelopathic Potential

Melilotus siculus

2 references

Triterpenoids from Melilotus messanensis; soyasapogenol G, the first natural carbonate derivative

Bioactive Steroids and Triterpenes from Melilotus messanensis and Their Allelopathic Potential

Pueraria montana var. lobata

1 reference

Oleanene-sapogenols from puerariae radix.

Astragalus mongholicus

1 reference

Saponin and sapogenol. XXXIV. Chemical constituents of astragali radix, the root of Astragalus membranaceus Bunge. (1). Cycloastragenol, the 9,19-cyclolanostane-type aglycone of astragalosides, and the artifact aglycone astragenol.

Identifiers

InChI

InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1

1 reference

Soyasapogenol B (English)

19 November 2016

2 references

Soyasapogenol B (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

595-15-3

2 references

Global Substance Registration System

UNII

1EZ10D7E2F

soyasapogenol b (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=595-15-3

10 April 2021

1 reference

(3beta,22beta)-Olean-12-ene-3,22,24-triol (English)

19 November 2016

2 references

Soyasapogenol B (English)

19 November 2016

Reaxys registry number

4911811

1 reference

soyasapogenol B (English)

5 October 2016

ChEBI ID

9209

mapping relation type

2 references

SOYASAPOGENOL B (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22+,23-,24+,26+,27-,28+,29+,30+/m0/s1

1 reference

SOYASAPOGENOL B (English)

19 November 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

1 reference

Human Metabolome Database ID

HMDB0034648

2 references

inferred from InChIKey

reason for deprecated rank

KNApSAcK ID

C00000256

cannot be confirmed by other sources

1 reference

Global Substance Registration System

soyasapogenol B (English)

5 October 2016

2 references

UNII

1EZ10D7E2F

soyasapogenol b (English)

19 November 2016

0 references

1 reference

soyasapogenol B (English)