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(Q105313286)
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English
[4,5,6-Trihydroxy-7-(hydroxymethyl)-3,11,14-trimethyl-12-octanoyloxy-15-oxo-11-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl benzoate
group of stereoisomers with the chemical formula C₃₅H₄₆O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
ingenane diterpenoid
1 reference
inferred from
ingenane diterpenoid
mass
610.314183052
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₅H₄₆O₉
0 references
canonical SMILES
O=C(OCC1(C)C2C3C=C(CO)C(O)C4(O)C(O)C(=CC4(C3=O)C(C)CC21OC(=O)CCCCCCC)C)C=5C=CC=CC5
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Identifiers
InChI
InChI=1S/C35H46O9/c1-5-6-7-8-12-15-26(37)44-34-18-22(3)33-17-21(2)28(38)35(33,42)29(39)24(19-36)16-25(30(33)40)27(34)32(34,4)20-43-31(41)23-13-10-9-11-14-23/h9-11,13-14,16-17,22,25,27-29,36,38-39,42H,5-8,12,15,18-20H2,1-4H3
0 references
InChIKey
WUTJYIDPGJPHSV-UHFFFAOYSA-N
0 references
PubChem CID
74326802
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WUTJYIDPGJPHSV-UHFFFAOYSA-N
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