(4aR,6aR,6aS,6bR,8aR,10R,12aS)-10-Hydroxy-2,2,6a,6b,9,9,12a-Heptamethyl-3-Oxo-4,5,6,6a,7,8,8a,10,11,12-Decahydro-1H-Picene-4a-Carboxylic Acid
[CAS# 72933-75-6]

Identification

• Name: (4aR,6aR,6aS,6bR,8aR,10R,12aS)-10-Hydroxy-2,2,6a,6b,9,9,12a-Heptamethyl-3-Oxo-4,5,6,6a,7,8,8a,10,11,12-Decahydro-1H-Picene-4a-Carboxylic Acid
• Synonyms: (4Ar,6Ar,6As,6Br,8Ar,10R,12As)-10-Hydroxy-3-Keto-2,2,6A,6B,9,9,12A-Heptamethyl-4,5,6,6A,7,8,8A,10,11,12-Decahydro-1H-Picene-4A-Carboxylic Acid; Oleana-11,13(18)-Dien-28-Oic Acid, 3-Hydroxy-21-Oxo-, (3Alpha)-; Papyriogenin C
• Molecular Formula: C₃₀H₄₄O₄
• Molecular Weight: 468.68
• CAS Registry Number: 72933-75-6
• SMILES: [C@@]45(C(=C2[C@@]([C@@]1(CC[C@@H]3[C@@]([C@H]1C=C2)(CC[C@@H](O)C3(C)C)C)C)(C)CC4)CC(C(=O)C5)(C)C)C(=O)O
• InChI: 1S/C30H44O4/c1-25(2)16-19-18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,7)28(18,6)14-15-30(19,24(33)34)17-23(25)32/h8-9,20-22,31H,10-17H2,1-7H3,(H,33,34)/t20-,21+,22+,27-,28+,29+,30+/m0/s1
• InChIKey: AWCDPINIVCMMLX-NINJPWCBSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 596.417°C at 760 mmHg (Cal.)
• Flash point: 328.532°C (Cal.)