2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

• ChemBase ID: 102371
• Molecular Formular: C27H46O
• Molecular Mass: 386.65354
• Monoisotopic Mass: 386.35486609
• SMILES: CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
• Canonical SMILES: CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C)C
• InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3
• InChIKey: HVYWMOMLDIMFJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol
• IUPAC Traditional name: epicholestrol
• Synonyms: 3β-Hydroxy-5-cholestene, 5-Cholesten-3β-ol; CHOLESTEROL CHEMICALLY PURE; 3β-Hydroxy-5-cholestene; 5-Cholesten-3β-ol; CHOLESTEROL NF; CHOLESTEROL STANDARD FOR CLINICAL WORK

Database IDs

• CAS Number: 57-88-5
• EC Number: 200-353-2
• PubChem SID: 162088137
• PubChem CID: 304

CALCULATED PROPERTIES

• Acid pKa: 18.20429
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.112889
• LogD (pH = 7.4): 7.112889
• Log P: 7.112889
• Molar Refractivity: 120.6165 cm^3
• Polarizability: 47.977962 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 148.5
• Boiling Point: 360°C
• Density: 1.067 g/ml

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: FZ8400000

Product Information

• Purity: ≥95%
• Grade: NF

DETAILS

MP Biomedicals - 02101382

Standard for clinical work.

MP Biomedicals - 02101381

Chemically Pure
Purity: >95%