(Q105000896)

English

17-(2-Hydroxy-4,5,6-trimethylheptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol

group of stereoisomers with the chemical formula C₂₉H₅₀O₄

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Statements

instance of

group of stereoisomers

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subclass of

23-methylergostane steroid

1 reference

inferred from

23-methylergostane steroid

mass

462.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O₄

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canonical SMILES

OC1CCC2(C)C3CCC4(C(=CCC4C3CC(O)C2(O)C1)C(O)(C)CC(C)C(C)C(C)C)C

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Identifiers

InChI

InChI=1S/C29H50O4/c1-17(2)19(4)18(3)15-28(7,32)24-9-8-22-21-14-25(31)29(33)16-20(30)10-13-27(29,6)23(21)11-12-26(22,24)5/h9,17-23,25,30-33H,8,10-16H2,1-7H3

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InChIKey

FSVRNTKWAJDYID-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FSVRNTKWAJDYID-UHFFFAOYSA-N

(Q105000896)

17-(2-Hydroxy-4,5,6-trimethylheptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol

Statements

Identifiers

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