(4S,4aR,6aS,6aS,6bR,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,3,4,5,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-6-one
[CAS# 18671-54-0]

Identification

• Name: (4S,4aR,6aS,6aS,6bR,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,3,4,5,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-6-one
• Synonyms: D:A-Friedooleanan-7-One; Friedelan-7-One
• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.72
• CAS Registry Number: 18671-54-0
• SMILES: [C@@H]1(CCC[C@@H]2[C@@]1(CC([C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)=O)C)C
• InChI: 1S/C30H50O/c1-20-10-9-11-22-27(5)15-17-29(7)23-19-25(2,3)12-13-26(23,4)14-16-30(29,8)24(27)21(31)18-28(20,22)6/h20,22-24H,9-19H2,1-8H3/t20-,22-,23+,24-,26+,27-,28+,29-,30+/m0/s1
• InChIKey: FCPANOBLGVXYMG-IIWBYEMSSA-N

Properties

• Density: 0.963g/cm³ (Cal.)
• Boiling point: 477.184°C at 760 mmHg (Cal.)
• Flash point: 233.86°C (Cal.)