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(Q104914628)
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English
[4-[1-acetyloxy-2-(5-oxo-2H-furan-3-yl)ethyl]-5-hydroxy-4,5,7a,7b-tetramethyl-1a,2,3,3a,6,7-hexahydronaphtho[1,2-b]oxiren-7-yl] benzoate
group of stereoisomers with the chemical formula C₂₉H₃₆O₈
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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
512.2410181119998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₉H₃₆O₈
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canonical SMILES
O=C1OCC(=C1)CC(OC(=O)C)C2(C)C3CCC4OC4(C)C3(C)C(OC(=O)C=5C=CC=CC5)CC2(O)C
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Identifiers
InChI
InChI=1S/C29H36O8/c1-17(30)35-22(13-18-14-24(31)34-16-18)27(3)20-11-12-21-29(5,37-21)28(20,4)23(15-26(27,2)33)36-25(32)19-9-7-6-8-10-19/h6-10,14,20-23,33H,11-13,15-16H2,1-5H3
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InChIKey
AMHXSCQUXNYYCR-UHFFFAOYSA-N
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PubChem CID
73106961
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AMHXSCQUXNYYCR-UHFFFAOYSA-N
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