Description
Taxayunnansin A is isolated from the barks of Taxus chinensis.
Synonyms
(2aR,4S,4aS,5R,6R,8S,9aS,10S,10aR,10bS)-6-(benzoyloxy)-8-hydroxy-9a-(2-hydroxypropan-2-yl)-4a,7-dimethyl-3,4,4a,5,6,8,9,9a,10,10a-decahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxete-4,5,10,10b(2aH)-tetrayl tetraacetate
IUPAC Name
[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,9,11,16-tetraacetyloxy-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate
Molecular Formula
C35H44O13
Canonical SMILES
CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C35H44O13/c1-17-23(40)15-34(32(6,7)42)26(17)27(47-31(41)22-12-10-9-11-13-22)29(45-19(3)37)33(8)24(44-18(2)36)14-25-35(16-43-25,48-21(5)39)28(33)30(34)46-20(4)38/h9-13,23-25,27-30,40,42H,14-16H2,1-8H3/t23-,24-,25+,27+,28-,29-,30-,33+,34-,35-/m0/s1
InChIKey
IKDVXNASCSGIHM-SZBOGCPYSA-N
Boiling Point
720.3±60.0 °C(Predicted)
Density
1.34±0.1 g/cm3(Predicted)
pKa
13.44±0.70(Predicted)