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(Q105026627)
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English
2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,7,8,8a,11,12,14b-decahydro-1H-picene-2-carboxylic acid
group of stereoisomers with the chemical formula C₃₀H₄₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
mass
452.329045268
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₄O₃
0 references
canonical SMILES
O=C(O)C1(C)CCC2(C)CCC3(C(=CC=C4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1)C
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Identifiers
InChI
InChI=1S/C30H44O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21H,10-18H2,1-7H3,(H,32,33)
0 references
InChIKey
HDWVISPHUGFDMW-UHFFFAOYSA-N
0 references
PubChem CID
85172579
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HDWVISPHUGFDMW-UHFFFAOYSA-N
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