CAS
6894-38-8 Purity
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6894-38-8 Purity
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10-Deacetyltaxol
CAS
78432-77-6
Catalog Number
ACM-MG-78432776
Category
Molecular Glues
Molecular Weight
811.87
Molecular Formula
C45H49NO13
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Specification
Description
10-Deacetyltaxol (10-DAT) is extracted from Taxus brevifolia barks.
Synonyms
10-Desacetyl Paclitaxel
IUPAC Name
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C
InChI
InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
InChI Key
TYLVGQKNNUHXIP-MHHARFCSSA-N
Density
1.41 g/cm3
Solubility
DMSO: 27.5 mg/mL (33.87 mM)
EC Number
630-570-1
Shipping
Shipping with blue ice.
Storage Conditions
Powder: Store at -20 °C for 3 years
In solvent: -80 °C for 1 year
In solvent: -80 °C for 1 year
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