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D3676

Sigma-Aldrich

10-Deacetylbaccatin III from Taxus baccata

≥95% (HPLC)

Empirical Formula (Hill Notation):
C29H36O10
CAS Number:
Molecular Weight:
544.59
MDL number:
PubChem Substance ID:
NACRES:
NA.85

biological source

Taxus baccata

Quality Level

assay

≥95% (HPLC)

form

solid

mol wt

544.59 g/mol

color

white

solubility

methanol: soluble, clear, colorless (5 mg + 0.1 mL MeOH)

antibiotic activity spectrum

neoplastics

Mode of action

DNA synthesis | interferes

storage temp.

2-8°C

SMILES string

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C

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

InChI key

YWLXLRUDGLRYDR-ZHPRIASZSA-N

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Application

10-Deacetylbaccatin III is used as a chemical intermediate in the preparation of the anti-cancer drug paclitaxel (Taxol). It is used to study the taxol biosynthetic pathway.

Packaging

1, 5, 25 mg

Biochem/physiol Actions

10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated.

Pictograms

Exclamation markHealth hazard

Signal Word

Danger

Hazard Classifications

Carc. 1B - Eye Irrit. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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