10-Deacetylbaccatin III

Basic Information

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CAS Number

32981-86-5

Molecular Formula

C29H36O10

Molecular Weight

544.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

234°C

Boiling Point

716.8°C at 760 mmHg

Flash Point

233.5℃

Solubility

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

Refractive Index

1.5376 (estimate)

Specific Rotation

-44.5 º (c=1, methanol 25 ºC)

SMILES

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CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(=C(C2(C)C)[C@H](C1=O)O)C)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

InChIKey

YWLXLRUDGLRYDR-ZHPRIASZSA-N

LogP

1.0817999999999997

Topological Polar Surface Area

159.82 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

1090

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Storage Conditions

-20℃

Synonyms & References

English

10-DAB III
10-Deacetylbaccatin III
10 DAB
10-DAB
10-DAB DMF
10-DeacetylBaccatin
10-DeacetylbaccatinⅢ
10-Deacetylbaccatine III
10-Deacetylbaccatin-III
DEACETYLBACCATIN III, 10-(P) PrintBack
DESACETYLBACCATINE
10—Deacetylbaccatin III
10-DAB (10-Deacetylbaccatin)
10-DAB-III
10DBA III
10-Deacetyl
10-Deacetyl Baccatin &cent
10-Deacetylbaccatin III (10-DAB)
10-deacetylbaccatin11
10-Deacetylbaccatine
10-desacetylbaccatin III
Docetaxel impurity E
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
[ "10-DAB III" ]
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
10-Desacetylbaccatin III,10β-Deacetylbaccatin III

MDL Number

MFCD00132913

FAQ

What is 10-Deacetylbaccatin III (CAS: 32981-86-5)?

10-Deacetylbaccatin III is a naturally occurring triterpenoid compound derived from the bark of the yew tree. It has the chemical formula C24H38O10 and is known for its structural similarity to paclitaxel. The compound exhibits various biological activities and is often used as a precursor in the synthesis of anti-cancer drugs.

What are the main uses of 10-Deacetylbaccatin III (CAS: 32981-86-5)?

10-Deacetylbaccatin III is primarily used in pharmaceutical research for developing anti-cancer agents, particularly taxanes. It also finds applications in the synthesis of other bioactive compounds and is studied for its potential in drug discovery and therapeutic development.

Is 10-Deacetylbaccatin III (CAS: 32981-86-5) safe?

10-Deacetylbaccatin III is generally considered safe when handled properly in controlled environments. However, it should be treated with caution due to potential toxicity. Safety protocols include wearing protective gloves and goggles, and following standard chemical handling guidelines to minimize exposure risks.

How should 10-Deacetylbaccatin III (CAS: 32981-86-5) be stored?

10-Deacetylbaccatin III should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is recommended to keep it in a sealed container to prevent moisture and contamination. Avoid exposure to light and ensure proper labeling for safe handling and storage.