| SpectraBase Spectrum ID |
2PJHxJG63Q0 |
| 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-OJXXFFCHSA-N |
| Molecular Weight |
645.746 g/mol |
| SMILES |
O[C@@]12C[C@@]3([C@]([C@@]([C@]([C@@]2(OC)[H])(O)[H])(OC(C)=O)[C@]2([C@@]([C@@]4([C@]5([C@@](C[C@@]([C@@]34C2N(C5)CC)(OC)[H])(O)[H])COC)[H])(OC)[H])[H])([H])[C@]1(OC(c1ccccc1)=O)[H])[H] |
| SPLASH |
splash10-0a4i-5900010000-d483334199adeffd3a85 |
| Synonyms |
2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.
8-(Acetyloxy)-20-ethyl-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
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 |
1509479 |
