(Q105177990)

English

(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-(2-propan-2-yloxiran-2-yl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

group of stereoisomers with the chemical formula C₂₈H₄₆O₃

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Statements

instance of

group of stereoisomers

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1 reference

430.344695332 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₆O₃

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canonical SMILES

OC1C=C2CC(O)CCC2(C)C3CCC4(C)C(CCC4C13)C(C)CCC5(OC5)C(C)C

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isomeric SMILES

CC(C)C1(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1

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found in taxon

Pseudobersama mossambicensis

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stated in

Bioactive ergost-5-ene-3 beta, 7 alpha-diol derivatives from Pseudobersama mossambicensis

Identifiers

InChI

InChI=1S/C28H46O3/c1-17(2)28(16-31-28)13-8-18(3)21-6-7-22-25-23(10-12-27(21,22)5)26(4)11-9-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,29-30H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-,28?/m1/s1

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InChIKey

NEKARFIZRJHOEJ-ZNCVFNLDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NEKARFIZRJHOEJ-ZNCVFNLDSA-N

1 reference

(Q105177990)

(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-(2-propan-2-yloxiran-2-yl)butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

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Identifiers

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