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10-Deacetylbaccatin Iii

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10-Deacetylbaccatin III / CAS : 32981-86-5

Appearance White crystalline powder UN 1544
HS - DG Class 6.1
Synonyms 10-Dab; 10-Deacetylbaccatine; 10-Dab-Iii; 10-Deacetylbaccatin; 10-Desacetylbaccatin III; Desacetylbaccatine; Docetaxel Impurity E
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Properties

Summary

Formula
C29H36O10
Molecular Mass
544.59000
Exact Mass
544.23100
PSA
159.82000
Logp
1.08180
IUPAC
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
SMILES
CC1=C2C(C(=O)[C]3([CH](C([C](C2(C)C)(CC1O)O)OC(=O)C4=CC=CC=C4)[C]5(COC5CC3O)OC(=O)C)C)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antineoplastic Agents

Chemical and Physical Properties

Melting Point
231-236 °C
Density
1.41 g/cm3
Boiling Point
716.8ºC at 760 mmHg
Flash Point
233.5ºC
Appearance
White crystalline powder

Export information

UN No.
1544
DG-Class
6.1
Risk Code
R23/24/25
Safety Label
T

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