Estradiol 17-pivalate
Basic information
- CAS
24894-50-6- Standard SMILES
CC(C)(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C- InChIKey
SLOFBKMZOOTTDZ-WCZGSDDISA-N- Molecular formula
- C23H32O3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.23514488
Names & identifiers
- Preferred name
- Estradiol 17-pivalate
- IUPAC
- [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
Names & synonyms
Estradiol 17-pivalateEstradiol, 17-pivalateestradiol pivalateUNII-I12U06L6S4I12U06L6S4ESTRADIOL MONOPIVALATEDTXSID40179603Pivalic acid, 3-hydroxyestra-1,3,5(10)-trien-17beta-yl esterEstra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(2,2-dimethylpropanoate)PIVALIC ACID, 3-HYDROXYESTRA-1,3,5(10)-TRIEN-17.BETA.-YL ESTERESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 17-(2,2-DIMETHYLPROPANOATE)RefChem:137909
Show more names
DTXCID6010209424894-50-6SCHEMBL10327706Q248845923-Hydroxyestra-1,3,5(10)-trien-17beta-yl 2,2-dimethylpropanoate
Database identifiers
- CAS
24894-50-6- PubChem CID
- 10522263
- DTXSID
DTXSID40179603- UNII
- I12U06L6S4
- Nikkaji
- J767.851G
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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