(1S,4aS,4bS,7S,8aS,10aS)-1,4a-dimethyl-7-(propan-2-yl)-tetradecahydrophenanthrene

• ChemBase ID: 125184
• Molecular Formular: C19H34
• Molecular Mass: 262.47326
• Monoisotopic Mass: 262.26605109
• SMILES: C1C[C@@H]([C@@H]2CC[C@@H]3[C@H](CC[C@H](C(C)C)C3)[C@@]2(C)C1)C
• Canonical SMILES: CC([C@H]1CC[C@H]2[C@H](C1)CC[C@@H]1[C@]2(C)CCC[C@@H]1C)C
• InChI: InChI=1S/C19H34/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h13-18H,5-12H2,1-4H3/t14-,15-,16-,17-,18-,19-/m0/s1
• InChIKey: HTNCYKZTYXSRHL-DYKIIFRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,4aS,4bS,7S,8aS,10aS)-1,4a-dimethyl-7-(propan-2-yl)-tetradecahydrophenanthrene
• IUPAC Systematic name: (1S,4aS,4bS,7S,8aS,10aS)-7-Isopropyl-1,4a-dimethyltetradecahydrophenanthrene
• IUPAC Traditional name: (1S,4aS,4bS,7S,8aS,10aS)-7-isopropyl-1,4a-dimethyl-dodecahydro-1H-phenanthrene
• Synonyms: 18-Norabietane

Database IDs

• CAS Number: 2221-95-6
• PubChem SID: 162219534
• PubChem CID: 6451376
• Chemspider ID: 4953842
• Wikipedia Title: 18-Norabietane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.271984
• LogD (pH = 7.4): 6.271984
• Log P: 6.271984
• Molar Refractivity: 83.3219 cm^3
• Polarizability: 33.60564 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false