| CAS Number | 1360-76-5 |
| Catalog Number | AG009HDJ(AGN-PC-0PKTL2) |
| Chemical Name | (3S,6S,6aS,7S,7aS,8S,9R,10S,11aS,12R,12aS,14S)-1-Ethyl-7a,11a,12-trihydroxy-6,8,10-trimethoxydodecahydro-2H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-3(4H)-yl 2-acetamidobenzoate |
| IUPAC Name | [(1S,2S,3S,4S,5R,6S,8S,9R,10S,13S,16S,17S)-11-ethyl-3,8,9-trihydroxy-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/C32H44N2O9/c1-6-34-16-28(43-26(36)18-9-7-8-10-20(18)33-17(2)35)12-11-24(41-4)31-22-13-19-21(40-3)14-30(38,32(22,39)25(19)42-5)29(37,27(31)34)15-23(28)31/h7-10,19,21-25,27,37-39H,6,11-16H2,1-5H3,(H,33,35)/t19-,21+,22+,23-,24+,25+,27-,28-,29-,30+,31-,32+/m1/s1 |
| InChI Key | XTSVKUJYTUPYRJ-FUIAWOLXSA-N |
| MDL Number | MFCD11040788 |
| Molecular Formula | C32H44N2O9 |
| Molecular Weight | 600.6998 |
| SMILES | O(C)[C@@H]1[C@]23[C@]4([C@](O)(C[C@@]2([C@](OC(=O)C5=C(NC(C)=O)C=CC=C5)(CN4CC)CC1)[H])[C@]6(O)[C@]7(O)[C@]3(C[C@@]([C@@H]7OC)([C@@H](OC)C6)[H])[H])[H] |
| Synonyms | ranaconitine,
Ranaconitine,
1360-76-5,
C32H44N2O9,
C32-H44-N2-O9,
ACN-046958,
|