Description
9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A is extracted from the stem barks of Taxus baccata L. cv. stricta.
Synonyms
[(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-6,10-diacetyloxy-2,4,8-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-5-yl] benzoate
IUPAC Name
[(2S,4R,5R,5aS,6S,8S,9aR,10S,10aS)-6,10-diacetyloxy-2,4,8-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-5-yl] benzoate
Molecular Formula
C31H40O10
Canonical SMILES
CC1=C2C(C(C3(C(CC(C(=C)C3C(C2(CC1O)C(C)(C)O)OC(=O)C)O)OC(=O)C)C)OC(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C31H40O10/c1-15-20(34)13-22(39-17(3)32)30(7)24(15)26(40-18(4)33)31(29(5,6)38)14-21(35)16(2)23(31)25(36)27(30)41-28(37)19-11-9-8-10-12-19/h8-12,20-22,24-27,34-36,38H,1,13-14H2,2-7H3/t20-,21-,22-,24-,25+,26-,27-,30+,31-/m0/s1
InChIKey
ZJRNRUMUBVLZKF-SRXXEXFGSA-N