(4aR,6aR,6bR,8aS,12aS,12bR,14aR,14bS)-2,2,4a,6a,6b,9,9,12a-octamethyl-docosahydropicene

• ChemBase ID: 128712
• Molecular Formular: C30H52
• Molecular Mass: 412.73388
• Monoisotopic Mass: 412.40690166
• SMILES: [C@@]12([C@H]([C@@H]3[C@@]([C@]4([C@@H]([C@]5(C)[C@@H](CC4)C(C)(C)CCC5)CC3)C)(C)CC1)CC(C)(C)CC2)C
• Canonical SMILES: CC1(C)CC[C@]2([C@@H](C1)[C@H]1CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CCCC1(C)C)C
• InChI: InChI=1S/C30H52/c1-25(2)16-17-27(5)18-19-29(7)21(22(27)20-25)10-11-24-28(6)14-9-13-26(3,4)23(28)12-15-30(24,29)8/h21-24H,9-20H2,1-8H3/t21-,22+,23+,24-,27-,28+,29-,30-/m1/s1
• InChIKey: VCNKUCWWHVTTBY-KQCVGMHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4aR,6aR,6bR,8aS,12aS,12bR,14aR,14bS)-2,2,4a,6a,6b,9,9,12a-octamethyl-docosahydropicene
• IUPAC Traditional name: oleanane
• Synonyms: Oleanane

Database IDs

• CAS Number: 471-67-0
• PubChem SID: 162223018
• PubChem CID: 9548717
• CHEBI ID: 36481
• Chemspider ID: 7827640
• Wikipedia Title: Oleanane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.039532
• LogD (pH = 7.4): 9.039532
• Log P: 9.039532
• Molar Refractivity: 129.5418 cm^3
• Polarizability: 52.43624 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false