(Q105177119)

English

(2S,4aS,6aR,7R,10aS,12S,12aS)-7-(4-hydroxy-6-methylheptan-2-yl)-4a,6a-dimethyl-1,2,3,4,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydrochrysene-2,12-diol

group of stereoisomers with the chemical formula C₂₈H₄₈O₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

432.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₈O₃

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canonical SMILES

OC1CCC2(C3=CCC4(C)C(CCCC4C(C)CC(O)CC(C)C)C3CC(O)C2C1)C

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isomeric SMILES

CC(C)CC(O)CC(C)[C@H]1CCC[C@H]2C3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C

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found in taxon

Sida spinosa

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stated in

Ecdysteroids and other constituents from Sida spinosa L.

Identifiers

InChI

InChI=1S/C28H48O3/c1-17(2)13-20(30)14-18(3)22-7-6-8-23-21-16-26(31)25-15-19(29)9-11-28(25,5)24(21)10-12-27(22,23)4/h10,17-23,25-26,29-31H,6-9,11-16H2,1-5H3/t18?,19-,20?,21?,22+,23-,25+,26-,27+,28+/m0/s1

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InChIKey

NCBNYFAKBWFMMC-DEHLKIDDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NCBNYFAKBWFMMC-DEHLKIDDSA-N

(Q105177119)

(2S,4aS,6aR,7R,10aS,12S,12aS)-7-(4-hydroxy-6-methylheptan-2-yl)-4a,6a-dimethyl-1,2,3,4,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydrochrysene-2,12-diol

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Identifiers

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