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(Q105146476)
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English
[4-Hydroxy-5-(hydroxymethyl)-1-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl 2-phenylacetate
group of stereoisomers with the chemical formula C₂₈H₄₂O₅
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Statements
instance of
group of stereoisomers
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subclass of
clerodane diterpenoid
1 reference
inferred from
clerodane diterpenoid
mass
458.30322444399985
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₈H₄₂O₅
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canonical SMILES
O=C(OCC1CC(O)C2(C(=CCCC2C1(C)CCC(C)CCO)CO)C)CC=3C=CC=CC3
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Identifiers
InChI
InChI=1S/C28H42O5/c1-20(13-15-29)12-14-27(2)23(19-33-26(32)16-21-8-5-4-6-9-21)17-25(31)28(3)22(18-30)10-7-11-24(27)28/h4-6,8-10,20,23-25,29-31H,7,11-19H2,1-3H3
0 references
InChIKey
KVDRBIDXUWTEJH-UHFFFAOYSA-N
0 references
PubChem CID
163078492
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KVDRBIDXUWTEJH-UHFFFAOYSA-N
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