3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate
Basic information
- CAS
16319-93-0- Standard SMILES
CCOC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@]4(OC(C)=O)C(C)=O)[C@@]2(C)CC1- InChIKey
GLUPBNAYNWZRSJ-RFXJPFPRSA-N- Molecular formula
- C25H36O4
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.26135963
Names & identifiers
- Preferred name
- 3-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
- English name
- 3-ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate
- Molecular formula
- C25H36O4
- Molecular weight
- 400.55
Names & synonyms
16319-93-03-Ethoxy-17-hydroxypregna-3,5-dien-20-one 17-acetate[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetatePregna-3,5-dien-20-one, 17-(acetyloxy)-3-ethoxy-EINECS 240-396-4GLUPBNAYNWZRSJ-RFXJPFPRSA-N17-(Acetyloxy)-3-ethoxy-pregna-3,5-dien-20-oneHydroxyprogesterone Impurity 9Medroxyprogesterone Impurity N1AKOS030241131NS000549213-Ethoxy-17-hydroxy-pregna-3,5-dien-20-one Acetate
Show more names
Medroxyprogesterone Impurity 1Medroxyprogesterone Acetate Impurity 1717α-Acetoxy-3-ethoxypregna-3,5-dien-20-one17-Acetyloxy-3-ethoxypregna-3,5-dien-20-one3-Ethoxypregna-3,5-dien-17-ol-20-one-17-acetate
(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 780
Physicochemical properties
- solubility
- soluble in Chloroform, Dichloromethane, Ethyl Acetate
- form
- Yellow Crystals
Chemistry & industry
Applications
UsesIntermediate in the preparation of Progesterone (P755900) impurity.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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