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Estradiol, Dipropionate
CAS: 113-38-2 | C24H32O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
113-38-2
Molecular Formula:
C24H32O4
Molecular Mass:
384.52 g/mol
Names and Synonyms:
Estradiol, Dipropionate
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3,17-dipropanoate
Estradiol, dipropionate
Estra-1,3,5(10)-triene-3,17-diol (17β)-, dipropanoate
Agofollin
Dimenformon dipropionate
Diovocylin
17β-Estradiol dipropionate
β-Estradiol dipropionate
3,17β-Estradiol dipropionate
Oestradiol 3,17-dipropionate
Ovocyclin dipropionate
Progynon DP
Nacyclyl
Diovocyclin
Diprostron
Ovocyclin P
Endofollicolina D. P.
Estroici
Estronex
Follicyclin P
Estradiol 3,17-dipropionate
Estradiol propionate
1,3,5(10)-Estratriene-3,17β-diol dipropionate
17β-Estradiol 3,17-dipropionate
3,17β-Dipropionoxyestra-1,3,5(10)-triene
Ovahormon Depot
Akrofolline
Identifiers:
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:
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
Key Properties
Melting Point
104-105 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.52 g/mol | CAS Common Chemistry |
| 384.51600000000013 g/mol | RDKit | |
| 384.23005950399994 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 |
| Molar Refractivity | 107.15600000000006 | RDKit |
