(Q104397115)

English

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

group of stereoisomers with the chemical formula C₃₂H₅₂O₂

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Statements

instance of

group of stereoisomers

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subclass of

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

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inferred from

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

mass

468.396730904 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

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

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isomeric SMILES

C=C(CC[C@@H](C)[C@H]1CCC2(C)C3CCC4[C@H](C)[C@@H](OC(C)=O)CCC45CC35CCC12C)C(C)C

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Identifiers

InChI

InChI=1S/C32H52O2/c1-20(2)21(3)9-10-22(4)25-13-15-30(8)28-12-11-26-23(5)27(34-24(6)33)14-16-31(26)19-32(28,31)18-17-29(25,30)7/h20,22-23,25-28H,3,9-19H2,1-2,4-8H3/t22-,23+,25-,26?,27+,28?,29?,30?,31?,32?/m1/s1

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InChIKey

QEBAXZCXAFWBDK-UQECVPKXSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

QEBAXZCXAFWBDK-UQECVPKXSA-N

1 reference

(Q104397115)

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

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