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Basic information
- CAS
13027-33-3- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
SJZZRXMQSAXCFD-ZCBMJONGSA-N- Molecular formula
- C27H46O3
- Average molar mass
- 418.662 g/mol
- Monoisotopic mass
- 418.34469533
Names & identifiers
- Preferred name
- 3,5-Dihydroxycholestan-6-one
- IUPAC
- (17R)-3beta,5-Dihydroxy-5alpha-cholestan-6-one
- English name
- 5alpha-Cholestan-3beta,5alpha-diol-6-one
- Molecular formula
- C27H46O3
- Molecular weight
- 418.65
Names & synonyms
YS-64yakkasteroneCHOLESTANE-6-OXO-3,5-DIOL6-keto-5α-hydroxy cholesterol5α-hydroxy-6-keto Cholesterol3β,5-Dihydroxy-5α-cholestan-6-one5ALPHA-HYDROXY-6-KETO CHOLESTEROLCHOLESTANE-6-OXO-3BETA,5ALPHA-DIOLCHOLESTAN-3-BETA, 5-ALPHA-DIOL-6-ONE5alpha-Cholestan-3beta,5alpha-diol-6-one
Database identifiers
- CAS
13027-33-3- PubChem CID
- 159461
- DTXSID
DTXSID80926658- ChEMBL
CHEMBL1277915- ChEBI
CHEBI:166811- UNII
- YO7G6S09N3
- Nikkaji
- J143.767D
Properties
Physicochemical properties
- Melting point
- 234 °C · 234 °C
- Boiling point
- 528.9 · 528.9±45.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 0.5 mg/ml; Ethanol: 5 mg/ml
- form
- A crystalline solid
- pka
- 12 · 12+-.0.70(Predicted)
- color
- White to off-white
- InChIKey
- SJZZRXMQSAXCFD-ZCBMJONGSA-N
- SMILES
- O[C@]21[C@@]([C@@H]3[C@H]([C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC3)C)CC2=O)(CC[C@@H](C1)O)C
- FDA UNII
- 7 G6S09N3 · YO7G6S09N3
- UNSPSC Code
- 12352211 · 12352211
- 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
Uses5α-Hydroxy-6-keto Cholesterol Hydrochloride is a major metabolite of cholesterol.
Suppliers12 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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