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(Q105178771)
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English
[7-Hydroxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,8,8-trimethyl-6-(2-methylbut-2-enoyloxy)-1,4,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl 2-methylbutanoate
group of stereoisomers with the chemical formula C₃₀H₄₈O₆
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Statements
instance of
group of stereoisomers
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subclass of
labdanes
1 reference
inferred from
labdanes
mass
504.3450892559998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₈O₆
0 references
canonical SMILES
O=C(OC1CC2(COC(=O)C(C)CC)C(C(=CCC2C(C)(C)C1O)C)CCC(O)(C=C)C)C(=CC)C
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Identifiers
InChI
InChI=1S/C30H48O6/c1-10-19(4)26(32)35-18-30-17-23(36-27(33)20(5)11-2)25(31)28(7,8)24(30)14-13-21(6)22(30)15-16-29(9,34)12-3/h11-13,19,22-25,31,34H,3,10,14-18H2,1-2,4-9H3
0 references
InChIKey
NFZGKLNVBOQOGH-UHFFFAOYSA-N
0 references
PubChem CID
162988270
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NFZGKLNVBOQOGH-UHFFFAOYSA-N
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