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(Q104941313)
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English
(8-Hydroxy-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 C₄₆H₈₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
681.1273
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₆H₈₀O₃
0 references
canonical SMILES
O=C(OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C)C(O)CC4(C)C3(C)CCC2C1(C)C)CCCCCCCCCCCCCCC
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Identifiers
InChI
InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-27-28-44(7)36(42(39,4)5)26-29-45(8)37(44)25-24-34-35-32-41(2,3)30-31-43(35,6)38(47)33-46(34,45)9/h24,35-39,47H,10-23,25-33H2,1-9H3
0 references
InChIKey
BPAWXSVOAOLSRP-UHFFFAOYSA-N
0 references
PubChem CID
162998779
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BPAWXSVOAOLSRP-UHFFFAOYSA-N
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