(2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-en-5-ol

• ChemBase ID: 130265
• Molecular Formular: C27H44O
• Molecular Mass: 384.63766
• Monoisotopic Mass: 384.33921603
• SMILES: O[C@H]1CC[C@@]2(C3=C([C@@H]4CC[C@H]([C@H](C)CCC=C(C)C)[C@@]4(C)CC3)CC[C@H]2C1)C
• Canonical SMILES: O[C@H]1CC[C@]2([C@H](C1)CCC1=C2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC=C(C)C)C)C)C
• InChI: InChI=1S/C27H44O/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/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
• InChIKey: CGSJXLIKVBJVRY-XTGBIJOFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-1(10)-en-5-ol
• IUPAC Traditional name: zymosterol
• Synonyms: 5α-Cholesta-8,24-dien-3β-ol; Zymosterol

Database IDs

• CAS Number: 128-33-6
• PubChem SID: 162224545
• PubChem CID: 92746
• Chemspider ID: 83724
• Wikipedia Title: Zymosterol

CALCULATED PROPERTIES

• Acid pKa: 18.361385
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.6636515
• LogD (pH = 7.4): 6.663652
• Log P: 6.663652
• Molar Refractivity: 121.1999 cm^3
• Polarizability: 47.743767 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false