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(Q105254547)
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English
[5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-12-octanoyloxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] benzoate
group of stereoisomers with the chemical formula C₃₅H₄₆O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
ingenane diterpenoid
1 reference
inferred from
ingenane diterpenoid
mass
594.319268432
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₅H₄₆O₈
0 references
canonical SMILES
O=C(OC1C(=CC23C(=O)C(C=C(CO)C(O)C12O)C4C(OC(=O)CCCCCCC)(CC3C)C4(C)C)C)C=5C=CC=CC5
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Identifiers
InChI
InChI=1S/C35H46O8/c1-6-7-8-9-13-16-26(37)43-34-19-22(3)33-18-21(2)30(42-31(40)23-14-11-10-12-15-23)35(33,41)28(38)24(20-36)17-25(29(33)39)27(34)32(34,4)5/h10-12,14-15,17-18,22,25,27-28,30,36,38,41H,6-9,13,16,19-20H2,1-5H3
0 references
InChIKey
SJTLTQOXTPVUHS-UHFFFAOYSA-N
0 references
PubChem CID
74326964
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SJTLTQOXTPVUHS-UHFFFAOYSA-N
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