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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3083352Generated: October 25, 2026

9-Dihydro-13-acetylbaccatin III

19-DHB · 9-DHAB III · CAS:142203-65-4 · Cabazitaxel Impurity 55 · 9-Dideacetyl baccatin VI · 7,9-Dideacetylbaccatin VI · Cephalomannine Impurity 1 · 13-Acetyl-9-dihydro bacatin-Ⅲ

https://huagongshe.com/en/chemical/3083352

9-Dihydro-13-acetylbaccatin III molecular structure

Identifiers & Physical Properties

CAS No.142203-65-4
Molecular formulaC33H42O12
Average molar mass630.7 g/mol
Monoisotopic mass630.26762677 g/mol
SMILESCC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C
InChIKeyWPPPFZJNKLMYBW-FAEUQDRCSA-N
PubChem CID3083352
ChEMBLCHEMBL75533
EC No.604-277-4
DTXSIDDTXSID60931386

Chemical & Physical Properties

XLogP1.5
Topological polar surface area175
Hydrogen bond donors3
Hydrogen bond acceptors12
Rotatable bonds9
Heavy atoms45
Formal charge0
Complexity1,270
Melting point171-175°C
Boiling point704.5±60.0 °C(Predicted)
Density1.36±0.1 g/cm3(Predicted)
Storage conditionsInert atmosphere,2-8°C
SolubilityChloroform (Slightly), Methanol (Slightly)
pKa (acidity coefficient)12.61±0.70(Predicted)
Physical stateSolid
ColorWhite
InChIKeyWPPPFZJNKLMYBW-FAEUQDRCSA-N
SMILESO1C[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]
UN transport number1544
Water hazard class (WGK)3
Hazard class6.1(b)
Packing groupIII

Safety & Regulations

Water hazard class (WGK)3
UN transport number1544
Hazard class6.1(b)
Packing groupIII

Applications & Uses

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.

Uses

13-Acetyl-9-dihydrobaccatin-III is an apoptosis inducer.