Description
19-Hydroxybaccatin III is a diterpenoid isolated from the barks of Taxus. Chinensis.
Synonyms
7,11-methanolo-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a-(hydroxymethyl)-8,13,13-trimethyl-, (2aR,4S,4aR,6R,9S,11S,12S,12aR,12bS)-
IUPAC Name
[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Formula
C31H38O12
Canonical SMILES
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)OC(=O)C
InChI
InChI=1S/C31H38O12/c1-15-19(35)12-31(39)26(42-27(38)18-9-7-6-8-10-18)24-29(13-32,20(36)11-21-30(24,14-40-21)43-17(3)34)25(37)23(41-16(2)33)22(15)28(31,4)5/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
InChIKey
SYDMVWLQJZBPIU-VHLOTGQHSA-N
Boiling Point
752.1±60.0 °C(Predicted)
Melting Point
173-175 °C(Solv: ethanol (64-17-5))
Solubility
Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), methanol (Slightly)
Application
anti-tumor; anti-cancer
pKa
12.66±0.70(Predicted)
Uses
19-Hydroxybaccatin III is a taxane diterpenoid that has been isolated from Taiwanese Taxus mairei.