11-Dehydrocorticosterone acetate
Basic information
- CAS
1173-27-9- Standard SMILES
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C- InChIKey
DOETVHHSMBAUKN-GHBJZYDUSA-N- Molecular formula
- C23H30O5
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.20932405
Names & identifiers
- Preferred name
- 11-Dehydrocorticosterone acetate
- IUPAC
- [2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- English name
- 11-Dehydrocorticosterone acetate
- Molecular formula
- C23H30O5
- Molecular weight
- 386.48
Names & synonyms
11-Dehydrocorticosterone acetate1173-27-9QR3T9KEB4ZUNII-QR3T9KEB4ZPregn-4-ene-3,11,20-trione, 21-(acetyloxy)-11-DEHYDROCORTICOSTERONE 21-ACETATECORTICOSTERONE, 11-DEHYDRO-, ACETATEPREGN-4-ENE-3,11,20-TRIONE, 21-HYDROXY-, ACETATERefChem:77811[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetateSCHEMBL7989375DTXSID30922387
Show more names
DOETVHHSMBAUKN-GHBJZYDUSA-N21-Acetoxy-pregn-4-ene-3,11,20-trione3,11,20-Trioxopregn-4-en-21-yl acetate3,11,20-Trioxopregn-4-en-21-yl acetate #Q27287456
Database identifiers
- CAS
1173-27-9- PubChem CID
- 102006
- DTXSID
DTXSID30922387- UNII
- QR3T9KEB4Z
- Nikkaji
- J1.475.188B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 780
Physicochemical properties
- FDA UNII
- 3 T9KEB4Z · QR3T9KEB4Z
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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