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(Q105214548)
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English
[11-Ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-(2-methylbutanoyloxy)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
group of stereoisomers with the chemical formula C₃₆H₅₂N₂O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
aconitane alkaloid
1 reference
inferred from
aconitane alkaloid
mass
656.3672812440001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₆H₅₂N₂O₉
0 references
canonical SMILES
O=C(OCC12CN(CC)C3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC(=O)C(C)CC)C=7C=CC=CC7N
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Identifiers
InChI
InChI=1S/C36H52N2O9/c1-7-19(3)30(39)47-27-21-15-22-26(27)34(41,16-24(21)43-4)36(42)29(45-6)28-33(18-46-31(40)20-11-9-10-12-23(20)37)14-13-25(44-5)35(22,28)32(36)38(8-2)17-33/h9-12,19,21-22,24-29,32,41-42H,7-8,13-18,37H2,1-6H3
0 references
InChIKey
PTCGTOJPHUAXFR-UHFFFAOYSA-N
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PubChem CID
73079456
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PTCGTOJPHUAXFR-UHFFFAOYSA-N
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