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(Q105212018)
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English
10',22'-dihydroxy-7',18'-dimethyl-4-oxo-19'-(5-oxo-2H-furan-3-yl)spiro[1,3-thiazolidine-2,9'-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-ene]-14'-carbaldehyde
group of stereoisomers with the chemical formula C₃₁H₃₉NO₉S
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Statements
instance of
group of stereoisomers
0 references
subclass of
cardanolides
1 reference
inferred from
cardanolides
alkaloid
1 reference
inferred from
alkaloid
mass
601.2345528279999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₃₉NO₉S
0 references
canonical SMILES
CC1CC2(NC(=O)CS2)C2(O)OC3CC4(C=O)C(=CCC5C4CCC4(C)C(C6=CC(=O)OC6)CCC54O)CC3OC2O1
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Identifiers
InChI
InChI=1S/C31H39NO9S/c1-16-11-30(32-24(34)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-33)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h3,9,15-16,19-23,26,36-37H,4-8,10-14H2,1-2H3,(H,32,34)
0 references
InChIKey
PNKMHTIJBXNGLP-UHFFFAOYSA-N
0 references
PubChem CID
85183831
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PNKMHTIJBXNGLP-UHFFFAOYSA-N
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