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(Q105285580)
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English
4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl hexadecanoate
group of stereoisomers with the chemical formula C₄₆H₈₀O₂
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Statements
instance of
group of stereoisomers
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subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
665.1279
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₆H₈₀O₂
0 references
canonical SMILES
O=C(OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C)CCCCCCCCCCCCCCC
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Identifiers
InChI
InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3
0 references
InChIKey
VFSRKCNYYCXRGI-UHFFFAOYSA-N
0 references
PubChem CID
13915598
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
67780981
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0249100
1 reference
based on heuristic
inferred from InChIKey
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