CAS: 302-27-2 - Aconitine
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
InChI key:InChIKey=XFSBVAOIAHNAPC-WVHIKZTMSA-N
SMILES:O=C(OC1C2C3CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6O)C=7C=CC=CC7
- Synonyms:
- (1Beta,3Alpha,5Xi,6Alpha,14Alpha,15Alpha,16Beta)-8-(Acetyloxy)-20-Ethyl-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
- (3Alpha,6Alpha,14Alpha,15Alpha,16Beta)-8-(Acetyloxy)-20-Ethyl-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
- (3Alpha,6Alpha,9Alpha,10Alpha,13Alpha,14Alpha,15Alpha,16Beta)-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.
- 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine-4,8,9,11,11a(1H,7H)-pentol, 1-ethyldecahydro-6,10,13-trimethoxy-3-(methoxymethyl)-, 11a-acetate 8-benzoate
- Acetylbenzoylaconine
- Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-
- Aconitin
- Aconitina