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Desoxycorticosterone Pivalate
CAS: 808-48-0 | C26H38O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
808-48-0
Molecular Formula:
C26H38O4
Molecular Mass:
414.59 g/mol
Names and Synonyms:
Desoxycorticosterone Pivalate
Pregn-4-ene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-
11-Deoxycorticosterone, pivalate
Corticosterone, deoxy-, pivalate
Pivalic acid, ester with 11-deoxycorticosterone
21-(2,2-Dimethyl-1-oxopropoxy)pregn-4-ene-3,20-dione
Deoxycorticosterone trimethylacetate
Deoxycortone trimethylacetate
Desoxycorticosterone pivalate
DTMA
21-Hydroxypregn-4-ene-3,20-dione pivalate
Cortexone M
Deoxycorticosterone pivalate
Neodin-Depositum
Percorten M
Deoxycortone pivalate
DOCP
Percorten Pivalate
Desoxycorticosterone trimethylacetate
Desoxycortone pivalate
NSC 95278
Desoxycortisone pivalate
Zycortal
Identifiers:
SMILES:
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI:
InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1
Key Properties
Melting Point
200-202.5 °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 | 414.59 g/mol | CAS Common Chemistry |
| 414.58600000000024 g/mol | RDKit | |
| 414.277009696 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C2CCC3C(CCC4(C)C(C(=O)COC(=O)C(C)(C)C)CCC34)C2(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VVOIQBFMTVCINR-WWMZEODYSA-N | CAS Common Chemistry |
| Melting Point | 200-202.5 °C | CAS Common Chemistry |
| Name | Desoxycorticosterone pivalate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.440000000000005 Ų | RDKit |
| LogP | 5.292900000000006 | RDKit |
| Molar Refractivity | 115.62100000000008 | RDKit |
