10-Deacetylbaccatin

CAS	32981-86-5
Structure
Synonyms	5β,20-Epoxy-4-(acetyloxy)-1,7β,10β,13α-tetrahydroxy-9-oxotax-11-en-2α-yl benzoate
IUPAC Name	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Weight	544.59
Molecular Formula	C29H36O10
Canonical SMILES	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
InChI	InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
InChI Key	YWLXLRUDGLRYDR-ZHPRIASZSA-N
Boiling Point	717 °C
Melting Point	231-236 °C
Purity	98%
pKa	11.50±0.70
Appearance	Powder