| CAS Number | 32854-75-4 |
| Catalog Number | AG00BXRN(AGN-PC-0R88QB) |
| Chemical Name | (1a,14a,16b)-20-Ethyl-1,14,16-trimethoxyaconitane-4,8,9-triol 4-(2-acetylamino)benzoate) |
| IUPAC Name | [(1S,2S,3S,4S,5R,6S,8S,9R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate |
| InChI | InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20-,22+,23-,24+,25+,26?,27+,29-,30+,31+,32+/m1/s1 |
| InChI Key | NWBWCXBPKTTZNQ-MUVXNFNYSA-N |
| MDL Number | MFCD03424256 |
| Molecular Formula | C32H44N2O8 |
| Molecular Weight | 584.7004 |
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)c7ccccc7NC(=O)C |
| Synonyms | lappaconitine,
lappacontine,
lappaconitine,
32854-75-4,
Lannaconitine,
(+)-Lappaconitine,
Lappaconitine(p),
CHEMBL2296176,
SCHEMBL20024553,
CTK8G0501,
854L754,
Q-100405,
Acetyl-10-deoxysepaconitine,
UNII-Y4M5974F7Z,
C32H44N2O8,
C32-H44-N2-O8,
ACN-035393,
BRN 0072755,
2779B,
5-21-06-00291 (Beilstein Handbook Reference),
(1-alpha,14-alpha,16-beta)-20-Ethyl-1,14,16-trimethoxyaconitane-4,8,9-triol 4-[2-(acetylamino)benzoate],
Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-[2-(acetylamino)benzoate], (1.alpha.,14.alpha.,16.beta.)-,
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