(Q27109343)

inferred from SMILES

mass

450.37091±0 dalton

1 reference

6-Deoxocastasterone (English)

(2R,3S,5S,8S,9S,10S,13S,14S,17S)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

5 October 2016

stereoisomer of

2 references

inferred from InChIKey

(2R,3S,5S,8R,9R,10S,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

1 reference

6-Deoxo-24-epicastasterone

1 reference

(2R,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diol

1 reference

chemical formula

C₂₈H₅₀O₄

1 reference

6-Deoxocastasterone (English)

5 October 2016

canonical SMILES

CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)O)C)C)O)O

1 reference

6-Deoxocastasterone (English)

5 October 2016

isomeric SMILES

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O

1 reference

Secasterone, the first naturally occurring 2,3-epoxybrassinosteroid from Secale cereale

6-Deoxocastasterone (English)

5 October 2016

1 reference

Ornithopus sativus

1 reference

6-Deoxo-28-norcastasterone and 6-deoxo-24-epicastasterone —two new brassinosteroids from Ornithopus sativus

Arabidopsis thaliana

1 reference

Brassinosteroids in Arabidopsis thaliana

Castanea crenata

1 reference

Identification and quantification of brassinolide-related steroids in the insect gall and healthy tissues of the chestnut plant

Catharanthus roseus

1 reference

A brassinolide biosynthetic pathway via 6-deoxocastasterone

Oryza sativa

2 references

28-Homotyphasterol, a New Natural Brassinosteroid from Rice (Oryza sativaL.) Bran

28-Homotyphasterol, a New Natural Brassinosteroid from Rice (Oryza sativaL.) Bran

Phaseolus vulgaris

1 reference

6-Deoxocastasterone and 6-deoxodolichosterone: Putative precursors for brassinoliderelated steroids from Phaseolus vulgaris.

Robinia pseudoacacia

1 reference

Identification of Castasterone, 6-Deoxocastasterone, and Typhasterol in the Pollen ofRobinia pseudo-acaciaL.

Identifiers

InChI

InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1

1 reference

6-Deoxocastasterone (English)

5 October 2016

2 references

6-Deoxocastasterone (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

87833-54-3

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

(2alpha,3alpha,5alpha,22R,23R,24S)-Ergostane-2,3,22,23-tetrol (English)

5 October 2016

2 references

6-Deoxocastasterone (English)

5 October 2016

Reaxys registry number

5097016

1 reference

6-deoxocastasterone (English)

5 October 2016

ChEBI ID

20712

mapping relation type

2 references

6-deoxocastasterone (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1

1 reference

1 reference

DSSTOX compound identifier

DTXCID4020951

0 references

Human Metabolome Database ID

HMDB0033984

2 references

inferred from InChIKey

reason for deprecated rank

KNApSAcK ID

C00000199

cannot be confirmed by other sources

1 reference

6-deoxocastasterone (English)

5 October 2016

1 reference

6-deoxocastasterone (English)