(1S,2S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-pentan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadecane

• ChemBase ID: 126551
• Molecular Formular: C24H42
• Molecular Mass: 330.59028
• Monoisotopic Mass: 330.32865134
• SMILES: C12CCCC[C@@]1([C@@H]1[C@H]([C@@H]3CC[C@@H]([C@@]3(C)CC1)[C@H](C)CCC)CC2)C
• Canonical SMILES: CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CCCC2)C
• InChI: InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18?,19+,20-,21+,22+,23+,24-/m1/s1
• InChIKey: QSHQKIURKJITMZ-BRPMRXRMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-pentan-2-yl]tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane
• IUPAC Traditional name: cholane
• Synonyms: Cholane

Database IDs

• CAS Number: 80373-86-0
• PubChem SID: 162220883
• PubChem CID: 6857530
• CHEBI ID: 35519
• Chemspider ID: 5256866
• Wikipedia Title: Cholane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.7290306
• LogD (pH = 7.4): 7.7290306
• Log P: 7.7290306
• Molar Refractivity: 104.3464 cm^3
• Polarizability: 42.097454 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false