(Q105263161)

English

(8S,9R,10R,13R,14S)-17-(5-ethyl-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 C₂₉H₅₀O₂

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

430.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O₂

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canonical SMILES

OC1C=C2CC(O)CCC2(C)C3CCC4(C)C(CCC4C13)C(C)CCC(CC)C(C)C

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isomeric SMILES

CCC(CCC(C)C1CC[C@H]2[C@@H]3C(O)C=C4CC(O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C

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found in taxon

Adenophora wawreana

1 reference

stated in

Studies on chemical constituents of Rabdosia serra

Identifiers

InChI

InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19?,20?,22?,23?,24-,25+,26?,27-,28-,29+/m0/s1

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InChIKey

SXJVFYZNUGGHRG-DEJOXMQWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SXJVFYZNUGGHRG-DEJOXMQWSA-N

(Q105263161)

(8S,9R,10R,13R,14S)-17-(5-ethyl-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

Statements

Identifiers

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