(17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside
Description
Raucaffricine is a natural alkaloid found in the root of Rauvolfia serpentina.
Synonyms
(17R,19E,21alpha)-17-acetoxy-1,2,19,20-tetradehydro-1-demethylajmalan-21-yl beta-D-glucopyranoside
IUPAC Name
[(1R,10S,12R,13E,14R,16S)-13-ethylidene-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
Molecular Formula
C27H32N2O8
Canonical SMILES
CC=C1C2CC3C4=NC5=CC=CC=C5C46CC(C2C6OC(=O)C)N3C1OC7C(C(C(C(O7)CO)O)O)O
InChI
InChI=1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19?,20+,21-,22+,24?,25+,26-,27+/m0/s1
InChIKey
OSJPGOJPRNTSHP-BGYCQZOHSA-N