(Q104168412)

English

(6S,7S,12S,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

group of stereoisomers with the chemical formula C₃₀H₅₀O

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Statements

instance of

group of stereoisomers

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subclass of

4,14-dimethyl-9,19-cycloergostane steroid

1 reference

inferred from

4,14-dimethyl-9,19-cycloergostane steroid

mass

426.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O

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canonical SMILES

OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1C)C(C)CCC(=C)C(C)C

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isomeric SMILES

C=C(CC[C@@H](C)C1CC[C@@]2(C)C3CCC4[C@H](C)[C@@H](O)CCC45CC35CC[C@]12C)C(C)C

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Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23?,24?,25+,26?,27-,28+,29?,30?/m1/s1

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InChIKey

HUNLTIZKNQDZEI-HCMAIDQDSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

HUNLTIZKNQDZEI-HCMAIDQDSA-N

1 reference

(Q104168412)

(6S,7S,12S,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

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Identifiers

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