| SpectraBase Spectrum ID |
JvTZrhWWOTV |
| Name |
Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1.alpha.,3.alpha.,6.alpha.,14.alpha.,15.alpha.,16.beta.)- |
| CAS Registry Number |
302-27-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H47NO11 |
| InChI |
InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19?,20-,21+,22?,23+,24+,25?,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1 |
| InChIKey |
XFSBVAOIAHNAPC-DIOAZWHVSA-N |
| Molecular Weight |
645.746 g/mol |
| SMILES |
O[C@]1([C@@]2(C3[C@@]4(C([C@@]([C@@]5(C6C4C[C@]([C@]([C@@]5(O)[H])(OC)[H])([C@@]6(OC(=O)c4ccccc4)[H])O)OC(=O)C)([C@@]3(OC)[H])[H])N(C2)CC)[C@](C1)(OC)[H])COC)[H] |
| SPLASH |
splash10-0bt9-8910012000-0775b033fe81c9e9c947 |
| Synonyms |
8-(Acetyloxy)-20-ethyl-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.
Aconitane
Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-
Aconitin
Aconitin cristallisat
Aconitine
Aconitine (crystalline)
Aconitinum
Aconitysat
Akonitin
EINECS 206-121-7
NSC 56464 |
| Wiley ID |
1510652 |
