Basic information
- CAS
349553-97-5- Standard 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- Molecular formula
- C26H44O2
- Average molar mass
- 395.7 g/mol
- Monoisotopic mass
- 395.37806786
Names & identifiers
- Preferred name
- (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
- IUPAC
- (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
- English name
- 7BETA-HYDROXYCHOLESTEROL-25,26,26,26,27,27,27-D7
- Molecular formula
- C26H37D7O2
- Molecular weight
- 395.67
Names & synonyms
7-Hydroxy Cholesterol-d75-Cholestene-3,7-diol-d7D7-7β-hydroxy cholesterol7β-hydroxy Cholesterol-d7Cholest-5-ene-3,7-diol-d77-Hydroxycholest-5-en-3-ol-d7(3,7)-Cholest-5-ene-3,7-diol-d77Ss-Hydroxycholesterol-D7 (Standard)7β-Hydroxycholesterol-25,26,26,26-27,27,27-D77β-Hydroxycholesterol-25?26?26?26?27?27?27-[d7]
Database identifiers
- CAS
349553-97-5- PubChem CID
- 102600916
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 610
Physicochemical properties
- Melting point
- 174 · 174-178C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 2 mg/ml; · DMF: 2 mg/ml; DMSO: 0.1 mg/ml; Ethanol: 20 mg/ml
- form
- A solid
- color
- White to off-white
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 25 · NA.25
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesA labelled metabolite of Cholesterol
UsesSecondary metabolite of Cholesterol. A representative lot was: 84%d7; 14% d6; 1% d5 with no detectable d0.
Suppliers21 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Aladdin Scientific[email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
曼哈格（上海）生物科技有限公司400-818 0104 18918165978 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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