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Molecule
Estradiol, Dipropionate
CAS: 113-38-2 · C24H32O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 113-38-2
- Molecular Formula
- C24H32O4
- Molecular Mass
- 384.52 g/mol
Identifiers
CAS Registry Number
113-38-2
SMILES
CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CC)CC[C@@H]12
InChI Key
JQIYNMYZKRGDFK-RUFWAXPRSA-N
InChI
InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1
Names and Synonyms
- Estradiol, Dipropionate Systematic Name
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-dipropanoate Synonym
- Estradiol, dipropionate Synonym
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, dipropanoate Synonym
- Agofollin Synonym
- Dimenformon dipropionate Synonym
- Diovocylin Synonym
- 17β-Estradiol dipropionate Synonym
- β-Estradiol dipropionate Synonym
- 3,17β-Estradiol dipropionate Synonym
- Oestradiol 3,17-dipropionate Synonym
- Ovocyclin dipropionate Synonym
- Progynon DP Synonym
- Nacyclyl Synonym
- Diovocyclin Synonym
- Diprostron Synonym
- Ovocyclin P Synonym
- Endofollicolina D. P. Synonym
- Estroici Synonym
- Estronex Synonym
- Follicyclin P Synonym
- Estradiol 3,17-dipropionate Synonym
- Estradiol propionate Synonym
- 1,3,5(10)-Estratriene-3,17β-diol dipropionate Synonym
- 17β-Estradiol 3,17-dipropionate Synonym
- 3,17β-Dipropionoxyestra-1,3,5(10)-triene Synonym
- Ovahormon Depot Synonym
- Akrofolline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.52 g/mol | CAS Common Chemistry |
| 384.51600000000013 g/mol | RDKit | |
| 384.516 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)CC)CCC34)CC | CAS Common Chemistry |
| InChI | InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JQIYNMYZKRGDFK-RUFWAXPRSA-N | CAS Common Chemistry |
| Melting Point | 104-105 °C | CAS Common Chemistry |
| Name | Estradiol, dipropionate | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 5.179900000000005 | RDKit |
| 5.1799 | RDKit | |
| Molar Refractivity | 107.15600000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 384.23005950399994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 384.52 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H32O4.
