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(Q105246429)
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English
(8-Hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl) tetradecanoate
group of stereoisomers with the chemical formula C₄₄H₇₆O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
taraxastane / ursane triterpenoid
1 reference
inferred from
taraxastane / ursane triterpenoid
mass
652.5794462920001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄₄H₇₆O₃
0 references
canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)CCC5(C)C(O)CC43C)C)C1(C)C)CCCCCCCCCCCCC
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Identifiers
InChI
InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3
0 references
InChIKey
RWBOMXGEKDSWEP-UHFFFAOYSA-N
0 references
PubChem CID
162861581
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RWBOMXGEKDSWEP-UHFFFAOYSA-N
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