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Chemical structure of 9-Dihydro-13-acetylbaccatin III

GC35206

9-Dihydro-13-acetylbaccatin III

Also known as [(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-4,12,15-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations

ChemicalCAS142203-65-4MW630.68FormulaC33H42O12
CAS number
142203-65-4
Molecular weight
630.68
Formula
C33H42O12
Solubility
DMF： 10mg/mL,DMF：PBS (pH 7·2) (1：4)： 0·2mg/mL,DMSO： 5mg/mL
InChIKey
WPPPFZJNKLMYBW-FAEUQDRCSA-N
Catalogue number
GC35206
Brand
GLPBIO
Computed properties PubChem CID 3083352 · XLogP 1.5 · TPSA 175 Ų · H-bond donors 3
XLogP
1.5
TPSA
175 Ų
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
9
Heavy atoms
45

SMILES CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C

Computed descriptors from PubChem (CID 3083352), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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