(Q105117603)

English

(4aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one

group of stereoisomers with the chemical formula C₃₀H₄₈O₃

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C1CC2(C)CCC3(C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2CC1(C)C)C

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isomeric SMILES

CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(CO)C5CC[C@@]4(C)C3(C)CC[C@@]2(C)CC1=O

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found in taxon

Melilotus messanensis

2 references

stated in

Bioactive polar triterpenoids from Melilotus messanensis

stated in

Bioactive polar triterpenoids from Melilotus messanensis

soybean

2 references

stated in

Analysis of soybean sapogenins by high-performance liquid chromatography

stated in

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

Impatiens siculifer

1 reference

stated in

Triterpenoid saponins from Impatiens siculifer.

Medicago lupulina

2 references

stated in

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

stated in

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

Medicago sativa

2 references

stated in

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

stated in

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

Oxytropis falcata

1 reference

stated in

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

Streptomyces

1 reference

stated in

Production of oleanene triterpenes by Streptomyces.

Trifolium pratense

1 reference

stated in

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

Melilotus siculus

1 reference

stated in

Bioactive polar triterpenoids from Melilotus messanensis

Identifiers

InChI

InChI=1S/C30H48O3/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)17-24(25)33/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21?,22?,23-,26-,27-,28+,29?,30+/m0/s1

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InChIKey

IPZBDVYNLAGJFF-VZJUNBIDSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105117603)

(4aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-3-one

Statements

Identifiers

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