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(Q105119027)
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English
Methyl 5-acetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-1-oxo-2,3,5,6,6a,7,11,11a-octahydronaphtho[2,1-f][1]benzofuran-7-carboxylate
group of stereoisomers with the chemical formula C₂₃H₃₀O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
cassane diterpenoid
1 reference
inferred from
cassane diterpenoid
mass
434.19406792
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀O₈
0 references
canonical SMILES
O=C(OC1C(O)C2C(C(=O)OC)C=3C=COC3CC2C4(C(=O)CCC(C)(C)C14O)C)C
0 references
found in taxon
Caesalpinia crista
1 reference
stated in
Cassane furanoditerpenoids from the seed kernels of Caesalpinia bonduc from Thailand
Caesalpinia bonducella
1 reference
stated in
Bonducellpins A−D, New Cassane Furanoditerpenes ofCaesalpinia bonduc
Identifiers
InChI
InChI=1S/C23H30O8/c1-11(24)31-19-18(26)17-13(10-14-12(7-9-30-14)16(17)20(27)29-5)22(4)15(25)6-8-21(2,3)23(19,22)28/h7,9,13,16-19,26,28H,6,8,10H2,1-5H3
0 references
InChIKey
IRQDLEBBCDCFMG-UHFFFAOYSA-N
0 references
PubChem CID
85209034
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IRQDLEBBCDCFMG-UHFFFAOYSA-N
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