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Chemical structure of 1-Dehydroxybaccatin IV

GC72039

1-Dehydroxybaccatin IV

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

1-Dehydroxybaccatin IV is a taxane diterpene

ChemicalCAS57672-78-3MW636.68FormulaC32H44O13
CAS number
57672-78-3
Molecular weight
636.68
Formula
C32H44O13
InChIKey
GHSKUVKACGPNGN-CZYGJQDOSA-N
Catalogue number
GC72039
Brand
GLPBIO
Computed properties PubChem CID 21679297 · XLogP 1.7 · TPSA 167 Ų · H-bond donors 0
XLogP
1.7
TPSA
167 Ų
H-bond donors
0
H-bond acceptors
13
Rotatable bonds
12
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@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C

Computed descriptors from PubChem (CID 21679297), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.