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(Q104956314)
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English
[3-hydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethenyl]-2-(pyridine-3-carbonyloxy)-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate
group of stereoisomers with the chemical formula C₃₂H₃₄N₂O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
clerodane diterpenoid
1 reference
inferred from
clerodane diterpenoid
pyridine alkaloids
1 reference
inferred from
pyridine alkaloids
mass
558.236601428
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₂H₃₄N₂O₇
0 references
canonical SMILES
O=C1OCC(C=CC2(C)C3CCC=C(C)C3(C)C(OC(=O)C=4C=NC=CC4)C(OC(=O)C=5C=NC=CC5)C2(O)C)=C1
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Identifiers
InChI
InChI=1S/C32H34N2O7/c1-20-8-5-11-24-30(2,13-12-21-16-25(35)39-19-21)32(4,38)27(41-29(37)23-10-7-15-34-18-23)26(31(20,24)3)40-28(36)22-9-6-14-33-17-22/h6-10,12-18,24,26-27,38H,5,11,19H2,1-4H3
0 references
InChIKey
CFCKNUOZCOKYOO-UHFFFAOYSA-N
0 references
PubChem CID
75093092
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CFCKNUOZCOKYOO-UHFFFAOYSA-N
UniChem compound ID
78021117
1 reference
stated in
UniChem
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