| CAS Number | 107668-79-1 |
| Catalog Number | AG008RB4(AGN-PC-0OXJB5) |
| Chemical Name | [(1α,6α,14α,16β)-8-(Acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl) aconitan-14-yl](4-methoxyphenyl)methanone |
| IUPAC Name | [(1S,2R,3R,4R,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate |
| InChI | InChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27-,29+,30-,31?,32+,33+,34-,35+/m1/s1 |
| InChI Key | YRECILNLFWZVRM-JNQVLWDESA-N |
| MDL Number | MFCD01714791 |
| Molecular Formula | C35H49NO9 |
| Molecular Weight | 627.7649 |
| SMILES | O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(CC)[C@@]2([C@]([C@@H]4OC)([C@]5(OC(C)=O)[C@@]6([C@]3(C[C@@](O)([C@@H]6C(=O)C7=CC=C(OC)C=C7)[C@@H](OC)C5)[H])[H])[H])[H])CC1)[H] |
| Synonyms | bulleyaconitine A,
bulleyaconitine-A,
Bulleyaconitine A,
107668-79-1,
Bulleyaconi cine A,
Bulleyaconi-cine-A,
MFCD01714791,
Y0044,
668B791,
UNII-7VFN6Z3BRE,
C35H49NO9,
C35-H49-N-O9,
ACN-035307,
|