HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,6,6,6-tetradeuterio-5-(trideuteriomethyl)hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
7-Hydroxy Cholesterol-d7 · 5-Cholestene-3,7-diol-d7 · D7-7β-hydroxy cholesterol · 7β-hydroxy Cholesterol-d7 · Cholest-5-ene-3,7-diol-d7 · 7-Hydroxycholest-5-en-3-ol-d7 · (3,7)-Cholest-5-ene-3,7-diol-d7 · 7Ss-Hydroxycholesterol-D7 (Standard)
![(3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,6,6,6-tetradeuterio-5-(trideuteriomethyl)hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol molecular structure](/img/chemical/178679883.png)
Identifiers & Physical Properties
| CAS No. | 349553-97-5 |
|---|---|
| Molecular formula | C26H44O2 |
| Average molar mass | 395.7 g/mol |
| Monoisotopic mass | 395.37806786 g/mol |
| SMILES | [2H]C([2H])([2H])C([2H])(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H] |
| InChIKey | HKTLZNPSEKWWSW-KXSSCKPSSA-N |
| PubChem CID | 102600916 |
Chemical & Physical Properties
| XLogP | 6.9 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 610 |
| Melting point | 174-178C |
| Storage conditions | -20°C Freezer |
| Solubility | DMF: 2 mg/mlDMSO: 0.1 mg/mlEthanol: 20 mg/ml |
| Physical state | A solid |
| Color | White to off-white |
| UNSPSC Code | 12352100 |
| NACRES | NA.25 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Storage class | 11 - Combustible Solids |
|---|
Applications & Uses
Uses
A labelled metabolite of Cholesterol
Uses
Secondary metabolite of Cholesterol. A representative lot was: 84%d7; 14% d6; 1% d5 with no detectable d0.