10-Deacetylbaccatin iii

Catalog	BBC92999934
CAS	92999-93-4
Synonyms	8-epi-10-Deacety Baccatin III
IUPAC Name	(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=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)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
InChI Key	YWLXLRUDGLRYDR-UHFFFAOYSA-N
Boiling Point	716.8±60.0 °C
Melting Point	>203 °C
Purity	98%
Density	1.41±0.1 g/ml
Appearance	Powder
pKa	11.50±0.70