(Q105116886)

English

(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-10,13-dimethyl-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 C₂₈H₄₈O₄

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Statements

instance of

group of stereoisomers

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1 reference

448.355260016 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₈O₄

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canonical SMILES

OCC(O)(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C

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isomeric SMILES

CC(C)C(O)(CO)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

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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/C28H48O4/c1-17(2)28(32,16-29)13-8-18(3)21-6-7-22-25-23(10-12-27(21,22)5)26(4)11-9-20(30)14-19(26)15-24(25)31/h15,17-18,20-25,29-32H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-,28?/m1/s1

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InChIKey

IOUFZQNFNWOOHO-ZNCVFNLDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IOUFZQNFNWOOHO-ZNCVFNLDSA-N

1 reference

(Q105116886)

(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-10,13-dimethyl-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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