(1R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-Dihydroxy-2,2,6a,6b,9,9,12a-Heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-4a-Carboxylic Acid
[CAS# 32205-23-5]

Identification

• Name: (1R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-Dihydroxy-2,2,6a,6b,9,9,12a-Heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-Tetradecahydropicene-4a-Carboxylic Acid
• Synonyms: 3Beta,19Beta-Dihydroxyolean-12-En-28-Oic Acid; Chebi:39212; Spinossaeure
• Molecular Formula: C₃₀H₄₈O₄
• Molecular Weight: 472.71
• CAS Registry Number: 32205-23-5
• SMILES: [C@@]13([C@@H]([C@@]2([C@@H](CC1)C([C@@H](O)CC2)(C)C)C)CC=C4[C@]3(CC[C@@]5([C@H]4[C@@H](O)C(CC5)(C)C)C(O)=O)C)C
• InChI: 1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1
• InChIKey: KFALHTDSQSJCFC-HFYZCPLSSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 586.198°C at 760 mmHg (Cal.)
• Flash point: 322.359°C (Cal.)