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142203-65-4

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142203-65-4 Structure

142203-65-4 Structure
IdentificationBack Directory
[Name]

13-Acetyl-9-dihydrobaccatin III
[CAS]

142203-65-4
[Synonyms]

19-DHB
9-DHAB III
Cabazitaxel Impurity 55
9-Dideacetyl baccatin VI
7,9-Dideacetylbaccatin VI
Cephalomannine Impurity 1
13-Acetyl-9-dihydro bacatin-Ⅲ
13-Acetyl-9-dihydrobaccatin III
13-Acetyl-9(R)-dihydrobaccatin-III
9-DIHYDRO-13-ACETYL BACCATIN(9-DHB)
9-Dihydro-13-acetyl baccatinⅢ(9-DHB)
13-Acetyl-9-Dihydrobaccatin Iii (9-Dhb)
9-DIHYDRO-13-ACETYL BACCATIN III(9-DHB)
13-Acetyl-9-dihydrobaccatin III USP/EP/BP
9-Dihydro-13-acetylbaccatinIII from Taxus canadensis
2a,3,4,4a,5,6,9,10,12,12a-Decahydro-4a,8,13,13-tetramethyl-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-6,9,12b-triacetate 12-benzoate
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacetate 12-benzoate, (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-
[Molecular Formula]

C33H42O12
[MDL Number]

MFCD01310496
[MOL File]

142203-65-4.mol
[Molecular Weight]

630.68
Chemical PropertiesBack Directory
[Melting point ]

171-175°C
[Boiling point ]

704.5±60.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

12.61±0.70(Predicted)
[color ]

White
[InChIKey]

WPPPFZJNKLMYBW-FAEUQDRCSA-N
[SMILES]

O1C[C@@]2(OC(=O)C)[C@@]3([H])[C@H](OC(=O)C4=CC=CC=C4)[C@@]4(O)C(C)(C)C(=C(C)[C@@H](OC(=O)C)C4)[C@@H](OC(=O)C)[C@H](O)[C@]3(C)[C@@H](O)C[C@@]12[H]
Safety DataBack Directory
[RIDADR ]

1544
[WGK Germany ]

3
[HazardClass ]

6.1(b)
[PackingGroup ]

III
Hazard InformationBack Directory
[Description]

13-acetyl-9-Dihydrobaccatin III is a taxane originally isolated from T. canadensis. It inhibits proliferation of P388 leukemia cells with an IC50 value of 20 μg/ml.
[Chemical Properties]

White crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from Taxus chinensis.
[Uses]

13-Acetyl-9-dihydrobaccatin-III is an apoptosis inducer.
[References]

[1] GEEWANANDA P. GUNAWARDANA. Isolation of 9-Dihydro-13-acetylbaccatin III from Taxus canadensis[J]. Journal of Natural Products , 1992, 55 11: 1686-1689. DOI: 10.1021/np50089a022
Spectrum DetailBack Directory
[Spectrum Detail]

13-Acetyl-9-dihydrobaccatin III(142203-65-4)1HNMR
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