| 2D Structure | |
| CID | 90479327 |
| IUPAC Name | [(1S,2S,3S,4S,5R,6S,8S,9S,10R,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-QOQRDJBUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C32H44N2O8 |
| Molecular Weight | 584.7 |
| synonyms | ['lappaconitine', '32854-75-4', '(+)-Lappaconitine', 'Y4M5974F7Z', 'lappacontine', 'RefChem:924526', 'Lappaconitine(p)', 'Acetyl-10-deoxysepaconitine', 'lappaconite', 'UNII-Y4M5974F7Z', 'BRN 0072755', 'LAPPACONITINE [MI]', '5-21-06-00291 (Beilstein Handbook Reference)', 'LAPPACONITINE [WHO-DD]', 'CHEMBL4802123', 'SCHEMBL27961494', 'NCGC00346602-02', 'PD132535', '(1S,4S,5S,7S,8S,9S,10S,11S,13R,14S,16S,17R)-20-ethyl-4,8,9-trihydroxy- 1,14,16-trimethoxyacontin-4-yl 2-(acetylamino)benzoate', 'ACONITANE-4,8,9-TRIOL, 20-ETHYL-1,14,16-TRIMETHOXY-, 4-(2-(ACETYLAMINO)BENZOATE), (1.ALPHA.,14.ALPHA.,16.BETA.)-', 'Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-acetylamino)benzoate), (1-alpha,14-alpha,16-beta)-'] |
From Pubchem