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(Q105250648)
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English
Methyl 5a-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
group of stereoisomers with the chemical formula C₄₀H₅₆O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
lupane
1 reference
inferred from
lupane
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
648.402604132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₀H₅₆O₇
0 references
canonical SMILES
O=C(OCC12CCC3(C(=O)OC)CCC(C(=C)C)C3C2CCC4C5(C)CCC(O)C(C)(C)C5CCC41C)C=CC6=CC=C(O)C(O)=C6
0 references
found in taxon
Durio zibethinus
1 reference
stated in
Secondary Metabolites from the Wood Bark ofDurio zibethinusandDurio kutejensis
Identifiers
InChI
InChI=1S/C40H56O7/c1-24(2)26-14-19-39(35(45)46-7)20-21-40(23-47-33(44)13-9-25-8-11-28(41)29(42)22-25)27(34(26)39)10-12-31-37(5)17-16-32(43)36(3,4)30(37)15-18-38(31,40)6/h8-9,11,13,22,26-27,30-32,34,41-43H,1,10,12,14-21,23H2,2-7H3
0 references
InChIKey
SDHJQTVVRKHROZ-UHFFFAOYSA-N
0 references
PubChem CID
73236923
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SDHJQTVVRKHROZ-UHFFFAOYSA-N
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