(4bS,8aS)-4b,8,8-trimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-ol

• ChemBase ID: 127414
• Molecular Formular: C20H30O
• Molecular Mass: 286.4516
• Monoisotopic Mass: 286.22966558
• SMILES: Oc1c(cc2c(c1)[C@]1(CCCC([C@@H]1CC2)(C)C)C)C(C)C
• Canonical SMILES: CC(c1cc2CC[C@@H]3[C@](c2cc1O)(C)CCCC3(C)C)C
• InChI: InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1
• InChIKey: QXNWVJOHUAQHLM-AZUAARDMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4bS,8aS)-4b,8,8-trimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-ol
• IUPAC Traditional name: ferruginol
• Synonyms: Ferruginol; Ferruginol

Database IDs

• CAS Number: 514-62-5
• PubChem SID: 162221735
• PubChem CID: 442027
• CHEMBL: 197308
• Chemspider ID: 390582
• Wikipedia Title: Ferruginol

CALCULATED PROPERTIES

• Acid pKa: 10.802587
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.2535048
• LogD (pH = 7.4): 6.253336
• Log P: 6.2535067
• Molar Refractivity: 89.7077 cm^3
• Polarizability: 35.06138 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Oil

Product Information

• Purity: 95.0