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Estradiol Valerate
CAS: 979-32-8 | C23H32O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
979-32-8
Molecular Formula:
C23H32O3
Molecular Mass:
356.51 g/mol
Names and Synonyms:
Estradiol Valerate
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-pentanoate
Estradiol, 17-valerate
Estradiol valerate
Delahormone unimatic
Delestrogen 4x
Estra-1,3,5(10)-triene-3,17β-diol 17-valerate
Estradiol 17β-valerate
Estradiol valerianate
Progynon-Depot
3-Hydroxy-17β-valeroyloxyestra-1,3,5(10)-triene
Atladiol
Deladiol
Progynova
Estraval
Femogex
Neofollin
Pharlon
Dura-Estradiol
Delestrogen
Primogyn-Depot
Nuvelle
Oestradiol valerinate
Pelanin Depot
Gynogen LA
Gynogen LA 40
NSC 17590
Valergen
Climaval
Primofol-Depot
Gynokadin
Meriestra
Valest
Identifiers:
SMILES:
CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
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
Key Properties
Melting Point
144-145 °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 | 356.51 g/mol | CAS Common Chemistry |
| 356.5060000000001 g/mol | RDKit | |
| 356.23514488399996 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 |
| Molar Refractivity | 102.12880000000007 | RDKit |
