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(Q105247221)
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English
10-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-11-hydroxy-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 C₃₉H₅₄O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
oleanane triterpenoid
1 reference
inferred from
oleanane triterpenoid
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
634.386954068
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₉H₅₄O₇
0 references
canonical SMILES
O=C(OC1C(O)CC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC43C)C1(C)C)C=CC6=CC=C(O)C(O)=C6
0 references
found in taxon
Durio kutejensis
1 reference
stated in
Secondary Metabolites from the Wood Bark ofDurio zibethinusandDurio kutejensis
Identifiers
InChI
InChI=1S/C39H54O7/c1-34(2)16-18-39(33(44)45)19-17-37(6)24(25(39)21-34)10-12-30-36(5)22-28(42)32(35(3,4)29(36)14-15-38(30,37)7)46-31(43)13-9-23-8-11-26(40)27(41)20-23/h8-11,13,20,25,28-30,32,40-42H,12,14-19,21-22H2,1-7H3,(H,44,45)
0 references
InChIKey
RXPXPIXYLTUYHE-UHFFFAOYSA-N
0 references
PubChem CID
73236925
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RXPXPIXYLTUYHE-UHFFFAOYSA-N
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