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(Q105278742)
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English
[5-hydroxy-4,5,7a,7b-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethenyl]-1a,2,3,3a,6,7-hexahydronaphtho[1,2-b]oxiren-7-yl] benzoate
group of stereoisomers with the chemical formula C₂₇H₃₂O₆
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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
452.21988874399983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₂O₆
0 references
canonical SMILES
O=C1OCC(C=CC2(C)C3CCC4OC4(C)C3(C)C(OC(=O)C=5C=CC=CC5)CC2(O)C)=C1
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Identifiers
InChI
InChI=1S/C27H32O6/c1-24(13-12-17-14-22(28)31-16-17)19-10-11-20-27(4,33-20)26(19,3)21(15-25(24,2)30)32-23(29)18-8-6-5-7-9-18/h5-9,12-14,19-21,30H,10-11,15-16H2,1-4H3
0 references
InChIKey
UTFOXFCPWDBJJN-UHFFFAOYSA-N
0 references
PubChem CID
85276571
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UTFOXFCPWDBJJN-UHFFFAOYSA-N
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