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Molecule
Estradiol Valerate
CAS: 979-32-8 · C23H32O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 979-32-8
- Molecular Formula
- C23H32O3
- Molecular Mass
- 356.51 g/mol
Identifiers
CAS Registry Number
979-32-8
SMILES
CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
InChI Key
RSEPBGGWRJCQGY-RBRWEJTLSA-N
InChI
InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
Names and Synonyms
- Estradiol Valerate Common Name
- Estradiol valerate Synonym
- Delahormone unimatic Synonym
- Delestrogen 4x Synonym
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-pentanoate Synonym
- Estradiol, 17-valerate Synonym
- Estra-1,3,5(10)-triene-3,17β-diol 17-valerate Synonym
- Estradiol 17β-valerate Synonym
- Estradiol valerianate Synonym
- Progynon-Depot Synonym
- 3-Hydroxy-17β-valeroyloxyestra-1,3,5(10)-triene Synonym
- Atladiol Synonym
- Deladiol Synonym
- Progynova Synonym
- Estraval Synonym
- Femogex Synonym
- Neofollin Synonym
- Pharlon Synonym
- Dura-Estradiol Synonym
- Delestrogen Synonym
- Primogyn-Depot Synonym
- Nuvelle Synonym
- Oestradiol valerinate Synonym
- Pelanin Depot Synonym
- Gynogen LA Synonym
- Gynogen LA 40 Synonym
- NSC 17590 Synonym
- Valergen Synonym
- Climaval Synonym
- Primofol-Depot Synonym
- Gynokadin Synonym
- Meriestra Synonym
- Valest Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 356.51 g/mol | CAS Common Chemistry |
| 356.5060000000001 g/mol | RDKit | |
| 356.506 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RSEPBGGWRJCQGY-RBRWEJTLSA-N | CAS Common Chemistry |
| Melting Point | 144-145 °C | CAS Common Chemistry |
| Name | Estradiol valerate | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 5.350300000000006 | RDKit |
| 5.3503 | RDKit | |
| Molar Refractivity | 102.12880000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6957 | RDKit |
| 0.7 | chempirical lib | |
| Exact Mass | 356.23514488399996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 356.51 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C23H32O3.
