(Q105298405)

English

(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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2S,3R,4R,5S)-2-[(1R,3bR,5aS,7S,8R,9aS,9bS,11aS)-7,8-dihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-5,6-dimethylheptane-3,4-diol

1 reference

based on heuristic

inferred from SMILES

17-(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

based on heuristic

inferred from SMILES

mass

450.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6-Deoxo-24-epicastasterone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

1 reference

1 reference

C₂₈H₅₀O₄

0 references

canonical SMILES

OC1CC2CCC3C4CCC(C(C)C(O)C(O)C(C)C(C)C)C4(C)CCC3C2(C)CC1O

0 references

isomeric SMILES

CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]21C

0 references

found in taxon

Catharanthus roseus

1 reference

stated in

Biosynthesis of brassinosteroids in cultured cells of Catharanthus roseus

Oryza sativa

1 reference

stated in

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

Triticum aestivum

1 reference

stated in

3-Dehydroteasterone, a 3,6-Diketobrassinosteroid as a Possible Biosynthetic Intermediate of Brassinolide from Wheat Grain

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

0 references

InChIKey

VXBLCLVRWCLEOX-QJTGSLAUSA-N

0 references

1 reference

21 December 2022

inferred from InChIKey

(Q105298405)

(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

Statements

Identifiers

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