(Q103813428)

English

[(1S,3R,6S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] formate

group of stereoisomers with the chemical formula C₃₂H₅₂O₂

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Statements

instance of

group of stereoisomers

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subclass of

24-methylcycloartane steroid

1 reference

inferred from

24-methylcycloartane steroid

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

O=COC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CCC(C(=C)C)C

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isomeric SMILES

C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](OC=O)CC[C@@]45C[C@@]35CC[C@]12C

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Identifiers

InChI

InChI=1S/C32H52O2/c1-21(2)22(3)9-10-23(4)24-13-15-30(8)26-12-11-25-28(5,6)27(34-20-33)14-16-31(25)19-32(26,31)18-17-29(24,30)7/h20,22-27H,1,9-19H2,2-8H3/t22-,23+,24+,25?,26?,27-,29+,30-,31+,32-/m0/s1

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InChIKey

FEOYVNADIQNWQG-VGOCLHBASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FEOYVNADIQNWQG-VGOCLHBASA-N

(Q103813428)

[(1S,3R,6S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] formate

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Identifiers

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