Estradiol-17beta-decanoate
Basic information
- CAS
61748-93-4- Standard SMILES
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C- InChIKey
YYFQNZXJGOTFRX-VMBLQBCYSA-N- Molecular formula
- C28H42O3
- Average molar mass
- 426.6 g/mol
- Monoisotopic mass
- 426.3133952
Names & identifiers
- Preferred name
- Estradiol-17beta-decanoate
- 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] decanoate
- English name
- estradiol-17 beta-decanoate
- Molecular formula
- C28H42O3
- Molecular weight
- 426.63
Names & synonyms
Estradiol-17beta-decanoateEstradiol decanoate61748-93-4S4J8Z2L5LZEstra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-decanoateE2D-17beta-Estradiol17beta-Oestradiol decanoate[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] decanoateUNII-S4J8Z2L5LZSCHEMBL1315378DTXSID90210752ESTRADIOL-17BETA-DECANOATE RN
Show more names
estradiol-17 beta-decanoateEstra-1,3,5(10)-triene-3,17-diol (17β)-, 17-decanoate
3-Hydroxyestra-1,3,5(10)-trien-17beta-yl decanoate(17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl decanoate[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]decanoate
Database identifiers
- CAS
61748-93-4- PubChem CID
- 66409
- DTXSID
DTXSID90210752- UNII
- S4J8Z2L5LZ
- Nikkaji
- J552.322B
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- FDA UNII
- 4 J8Z2L5LZ · S4J8Z2L5LZ
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Related reactions
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Compound notes
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