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(Q104936727)
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English
[15-(6-Hydroxy-6-methylhept-4-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] dodecanoate
group of stereoisomers with the chemical formula C₄₂H₇₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
cycloartane triterpenoid
1 reference
inferred from
cycloartane triterpenoid
mass
624.5481461640001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₂H₇₂O₃
0 references
canonical SMILES
O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CC=CC(O)(C)C)CCCCCCCCCCC
0 references
Identifiers
InChI
InChI=1S/C42H72O3/c1-9-10-11-12-13-14-15-16-17-20-36(43)45-35-24-27-41-30-42(41)29-28-39(7)32(31(2)19-18-25-37(3,4)44)23-26-40(39,8)34(42)22-21-33(41)38(35,5)6/h18,25,31-35,44H,9-17,19-24,26-30H2,1-8H3
0 references
InChIKey
BIRNPJCAAKNGGH-UHFFFAOYSA-N
0 references
PubChem CID
72788604
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BIRNPJCAAKNGGH-UHFFFAOYSA-N
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