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(Q105214228)
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English
10-[3-(4-Hydroxyphenyl)prop-2-enoyloxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
group of stereoisomers with the chemical formula C₃₉H₅₄O₅
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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
602.3971248280001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₉H₅₄O₅
0 references
canonical SMILES
O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC43C)C1(C)C)C=CC6=CC=C(O)C=C6
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Identifiers
InChI
InChI=1S/C39H54O5/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)
0 references
InChIKey
PSKOYUFGDWKJBO-UHFFFAOYSA-N
0 references
PubChem CID
73108100
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
70644624
1 reference
stated in
UniChem
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