10-Deacetylbaccatin III

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Systematic / IUPAC Name: 4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

ID: Reference2550

Other Names: 10-Desacetylbaccatin III

Formula: C29H36O10

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Natural Products/Medicines Natural Toxins

Spectral Data

10-Deacetylbaccatin III mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 92
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/31/2015 3:20:36 PM
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Identificators

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
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
CAS 92999934
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Other Names 10-Desacetylbaccatin III

In Other Databases

ChemSpider 111285
PubChem 125001
ChemIDPlus 092999934
ChEMBL CHEMBL1713307
Wikipedia 10-Deacetylbaccatin