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(Q105007112)
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English
[4-Acetyloxy-11-ethyl-14-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] 3-phenylprop-2-enoate
group of stereoisomers with the chemical formula C₃₆H₄₉NO₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
aconitane alkaloid
1 reference
inferred from
aconitane alkaloid
mass
639.340732148
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₆H₄₉NO₉
0 references
canonical SMILES
O=C(OC12CC(OC)C3CC(C1C3OC(=O)C)C45C(OC)CC(O)C6(COC)CN(CC)C5C2C(OC)C64)C=CC=7C=CC=CC7
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Identifiers
InChI
InChI=1S/C36H49NO9/c1-7-37-18-34(19-41-3)25(39)16-26(43-5)36-23-15-22-24(42-4)17-35(28(23)30(22)45-20(2)38,29(33(36)37)31(44-6)32(34)36)46-27(40)14-13-21-11-9-8-10-12-21/h8-14,22-26,28-33,39H,7,15-19H2,1-6H3
0 references
InChIKey
GEEMTDQCJBQOPP-UHFFFAOYSA-N
0 references
PubChem CID
73114247
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GEEMTDQCJBQOPP-UHFFFAOYSA-N
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