| CAS Number | 6900-87-4 |
| Catalog Number | AG005M69(AGN-PC-0TU8KF) |
| Chemical Name | Hypaconitine |
| IUPAC Name | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| InChI | InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1 |
| InChI Key | FIDOCHXHMJHKRW-VHQVDBNASA-N |
| MDL Number | MFCD11041032 |
| Molecular Formula | C33H45NO10 |
| Molecular Weight | 615.7111 |
| SMILES | CO[C@@H](CC1)C23[C@@](C[C@@]4(O)[C@@H]5OC(C6=CC=CC=C6)=O)([H])[C@@]5([H])[C@](OC(C)=O)([C@@H](O)[C@@H]4OC)C7C2N(C)C[C@@]1(COC)[C@@]3([H])[C@H]7OC |
| Synonyms | hypaconitine,
hypaconitine hydrobromide,
Hypaconitine,
6900-87-4,
V0370,
C08688,
CHEBI:5831,
SCHEMBL2848738,
C33H47NO12,
900H874,
Q-201224,
Hypaconine,
Hypaconitine hydrobromide,
C33H45NO10,
UNII-5207313N6E,
CID441737,
C33-H45-N-O10,
ACN-035328,
C058309,
Hypaconitine, 98%, from Aconitum carmichaeli Debeaux - 25MG 25mg,
aconitane-8,13,14,15-tetrol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,6alpha,14alpha,15alpha,16beta)-,
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