(4aS,6aS,6bR,8aS,10S,12aS,14aS,14bS)-10-Hydroxy-2,2,6b,9,9,12a,14alpha-Heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-Tetradecahydropicene-4alpha- Carboxylic Acid
[CAS# 29099-34-1]

Identification

• Name: (4aS,6aS,6bR,8aS,10S,12aS,14aS,14bS)-10-Hydroxy-2,2,6b,9,9,12a,14alpha-Heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-Tetradecahydropicene-4alpha- Carboxylic Acid
• Synonyms: Maprounic Acid B805169k075; Maprounic Acid; Nsc359426
• Molecular Formula: C₃₀H₄₈O₃
• Molecular Weight: 456.71
• CAS Registry Number: 29099-34-1
• SMILES: [C@@H]1(CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4[C@H]([C@@H](CC5)C)C(=O)O)C)C)C)C)O
• InChI: 1S/C30H48O3/c1-18-10-13-27(4)16-17-29(6)19(24(27)23(18)25(32)33)8-9-21-28(5)14-12-22(31)26(2,3)20(28)11-15-30(21,29)7/h8,18,20-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22+,23+,24-,27-,28+,29-,30-/m1/s1
• InChIKey: FGVWTUYHPXJYGT-DXGHBCCJSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 556.891°C at 760 mmHg (Cal.)
• Flash point: 304.654°C (Cal.)