1- Hydroxybacatin I

Catalog	BBC30244372
CAS	30244-37-2
Structure
Synonyms	[1S,4R,(+)]-4,20-Epoxytax-11-ene-1,2α,5α,7β,9α,10β,13α-heptol 2,5,7,9,10,13-hexaacetate
IUPAC Name	(2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate
Molecular Weight	652.68
Molecular Formula	C32H44O14
Canonical SMILES	CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3
InChI Key	LUTPIRPNUNHFEV-UHFFFAOYSA-N
Boiling Point	657.2±55.0 °C
Melting Point	260-261 °C
Purity	98%
Density	1.31±0.1 g/ml
Appearance	Solid
pKa	12.68±0.70