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Epiandrosterone
CAS: 481-29-8 | C19H30O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
481-29-8
Molecular Formula:
C19H30O2
Molecular Mass:
290.45 g/mol
Names and Synonyms:
Epiandrosterone
Androstan-17-one, 3-hydroxy-, (3β,5α)-
5α-Androstan-17-one, 3β-hydroxy-
(3β,5α)-3-Hydroxyandrostan-17-one
epi-Androsterone
trans-Androsterone
3β-Androsterone
Epiandrosterone
d-Epiandrosterone
3β-Hydroxy-5α-androstan-17-one
3β-Hydroxyetioallocholan-17-one
3β-Hydroxy-17-oxo-5α-androstane
Isoandrosterone
5α-Androstan-3β-ol-17-one
3-Epiandrosterone
3β-Hydroxy-5α-androstane-17-one
Androsterone, trans-
Androsterone, epi-
iso-Androsterone
3β-OH-5α-Androstane-17-one
5α-Androstane-3β-ol-17-one
3β-Hydroxyandrostan-17-one
NSC 93996
5α-Androstan-17-one-3β-ol
Identifiers:
SMILES:
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChI:
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
Key Properties
Melting Point
178 °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 | 290.45 g/mol | CAS Common Chemistry |
| 290.447 g/mol | RDKit | |
| 290.2245802 g/mol | RDKit | |
| Canonical SMILES | O=C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | CAS Common Chemistry |
| InChI | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QGXBDMJGAMFCBF-LUJOEAJASA-N | CAS Common Chemistry |
| Melting Point | 178 °C | CAS Common Chemistry |
| Name | Epiandrosterone | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.959100000000003 | RDKit |
| Molar Refractivity | 82.74080000000006 | RDKit |
