10-Deacetylbaccatin

10-Deacetylbaccatin
IUPAC name (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)- 12b-(Acetyloxy)-12-(benzoyloxy)- 1,2a,3,4,4a,6,9,10,11,12,12a,12b- dodecahydro-4,6,9,11-tetrahydroxy- 4a,8,13,13-tetramethyl-7,11-methano- 5H-cyclodeca(3,4)benz(1,2-b) oxet-5-one
Other names 10-Deacetylbaccatin III 10-Deacetylbaccatine III
Identifiers
CAS number	32981-86-5 N
PubChem	154272
ChemSpider	135935 Y
ChEBI	CHEBI:18193 Y
ChEMBL	CHEMBL393912 Y
Jmol-3D images	Image 1
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/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1 Y Key: YWLXLRUDGLRYDR-ZHPRIASZSA-N Y
Properties
Molecular formula	C29H36O10
Molar mass	544.59
N (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

10-Deacetylbaccatins are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. 10-Deacetylbaccatin III is used as a chemical intermediate in the preparation of the anti-cancer drug paclitaxel (Taxol).

External links

• PubChem 5316348 - 10-deacetylbaccatin VI