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Chemical structure of 21-Acetoxypregna-1,4,9(11),16-tetraene-3,20-dione

GC60467

21-Acetoxypregna-1,4,9(11),16-tetraene-3,20-dione

Also known as [2-[(8S,10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

21-Acetoxypregna-1,4,9(11),16-tetraene-3,20-dione is an intermediate of delta 9,11 steroids synthesis, for example, Vamorolone?

ChemicalCAS37413-91-5MW366.45FormulaC23H26O4
CAS number
37413-91-5
Molecular weight
366.45
Formula
C23H26O4
Solubility
DMSO： 100 mg/mL (272·89 mM)
InChIKey
UFEOMHFPJREVTP-PTRHGPIFSA-N
Catalogue number
GC60467
Brand
GLPBIO
Computed properties PubChem CID 10926647 · XLogP 3.1 · TPSA 60.4 Ų · H-bond donors 0
XLogP
3.1
TPSA
60.4 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27

SMILES CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C

Computed descriptors from PubChem (CID 10926647), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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