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(Q105297775)
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English
[1,3-Diacetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 4-hydroxybenzoate
group of stereoisomers with the chemical formula C₃₁H₃₈O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
clerodane diterpenoid
1 reference
inferred from
clerodane diterpenoid
mass
554.2515827959999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₃₈O₉
0 references
canonical SMILES
O=C(OC1C=C2C(OC(=O)C)OC(OC(=O)C)C23C(O)CC(C)C(C)(CCC(=C)C=C)C3C1)C4=CC=C(O)C=C4
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Identifiers
InChI
InChI=1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(35)31-24(28(37-19(4)32)40-29(31)38-20(5)33)15-23(16-25(30)31)39-27(36)21-8-10-22(34)11-9-21/h7-11,15,18,23,25-26,28-29,34-35H,1-2,12-14,16H2,3-6H3
0 references
InChIKey
VVPBNSGOLQBLTJ-UHFFFAOYSA-N
0 references
PubChem CID
75052153
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VVPBNSGOLQBLTJ-UHFFFAOYSA-N
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