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(17Β)-3-(Cyclopentyloxy)-17-Methylandrosta-3,5-Dien-17-Ol
CAS: 67-81-2 | C25H38O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67-81-2
Molecular Formula:
C25H38O2
Molecular Mass:
370.58 g/mol
Names and Synonyms:
(17Β)-3-(Cyclopentyloxy)-17-Methylandrosta-3,5-Dien-17-Ol
Androsta-3,5-dien-17-ol, 3-(cyclopentyloxy)-17-methyl-, (17β)-
Androsta-3,5-dien-17β-ol, 3-(cyclopentyloxy)-17-methyl-
(17β)-3-(Cyclopentyloxy)-17-methylandrosta-3,5-dien-17-ol
3-(Cyclopentyloxy)-17-methyl-androsta-3,5-dien-17β-ol
17α-Methyltestosterone 3-cyclopentyl enol ether
Penmestrol
Pandrocine
RP 12222
Identifiers:
SMILES:
C[C@]12CCC(OC3CCCC3)=CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChI:
InChI=1S/C25H38O2/c1-23-13-10-19(27-18-6-4-5-7-18)16-17(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h8,16,18,20-22,26H,4-7,9-15H2,1-3H3/t20-,21+,22+,23+,24+,25+/m1/s1
Key Properties
Melting Point
150 °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 | 370.58 g/mol | CAS Common Chemistry |
| 370.57700000000017 g/mol | RDKit | |
| 370.287180456 g/mol | RDKit | |
| Canonical SMILES | OC1(C)CCC2C3CC=C4C=C(OC5CCCC5)CCC4(C)C3CCC21C | CAS Common Chemistry |
| InChI | InChI=1S/C25H38O2/c1-23-13-10-19(27-18-6-4-5-7-18)16-17(23)8-9-20-21(23)11-14-24(2)22(20)12-15-25(24,3)26/h8,16,18,20-22,26H,4-7,9-15H2,1-3H3/t20-,21+,22+,23+,24+,25+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZUBDXGHKAAMAAA-RFXJPFPRSA-N | CAS Common Chemistry |
| Melting Point | 150 °C | CAS Common Chemistry |
| Name | (17β)-3-(Cyclopentyloxy)-17-methylandrosta-3,5-dien-17-ol | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 6.153200000000008 | RDKit |
| Molar Refractivity | 109.13380000000008 | RDKit |
