19-Hydroxypregnenolone 3-acetate
Basic information
- CAS
26360-40-7- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(CO)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1- InChIKey
CMXIOZFFEJJBQE-XCXHLKQJSA-N- Molecular formula
- C23H34O4
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.24570956
Overview
structure
Names & identifiers
- Preferred name
- 19-Hydroxypregnenolone 3-acetate
- IUPAC
- [(3S,8S,9S,10S,13S,14S,17S)-17-acetyl-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
19-Hydroxypregnenolone 3-acetate26360-40-73-(Acetyloxy)-19-hydroxypregn-5-en-20-oneRefChem:908292[(3S,8S,9S,10S,13S,14S,17S)-17-acetyl-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateDTXSID5094921819-Hydroxy-20-oxopregn-5-en-3-yl acetate3beta-acetoxy-19-hydroxy-5-pregnen-20-one19-Hydroxy-20-oxopregn-5-en-3beta-yl acetate3beta-Acetoxy-19-hydroxy-Delta^5^-pregnen-20-one
Database identifiers
- CAS
26360-40-7- PubChem CID
- 193073
- DTXSID
DTXSID50949218- Nikkaji
- J2.028.853A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 667
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…