10-Deacetylbaccatin III Properties, Molecular Formula, Applications - WorldOfChemicals

10-Deacetylbaccatin III Properties

10-Deacetylbaccatin III

Molecule Structure Image

Description

 

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

Chemical Properties

Appearance White Solid
CAS Number 32981-86-5
ChEBI 18193
Density 1.41 g/cm3
EINECS Number 418-680-6
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
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
InChIKey YWLXLRUDGLRYDR-ZHPRIASZSA-N
Melting Point 231-236 °C
Molar Mass 544.59 g/mol
Molecular Formula C29H36O10
Solubility Insoluble
Synonyms 10-Deacetylbaccatin III;10-Deacetylbaccatine III;10-Deacetyl Baccatin Ⅲ;7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,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-,[2aR-(2aa,4b,4ab,6b,9a,11a,12a,12aa,12ba)]-;Tax-11-en-9-one, 5b,20-epoxy-1,2a,4,7b,10b,13a-hexahydroxy-, 4-acetate 2-benzoate
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