Barrigenol A1
[CAS# 15448-03-0]

Identification

• Name: Barrigenol A1
• Synonyms: (3S,6Ar,6Bs,7R,8S,8As,9S,12Ar,14Ar,14Br)-4,4,6A,6B,11,11,14B-Heptamethyl-8A-Methylol-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicene-3,7,8,9-Tetrol; A1-Barrigenol; Olean-12-Ene-3,15,16,22,28-Pentol, (3Beta,15Alpha,16Alpha,22Alpha)-
• Molecular Formula: C₃₀H₅₀O₅
• Molecular Weight: 490.72
• CAS Registry Number: 15448-03-0
• SMILES: [C@@]34([C@]2([C@@H]([C@@]1(C(C([C@@H](O)CC1)(C)C)CC2)C)CC=C3[C@@H]5[C@@]([C@H](O)[C@@H]4O)([C@@H](O)CC(C5)(C)C)CO)C)C
• InChI: 1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)23(34)24(35)30(18,16-31)22(33)15-25/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19?,20-,21+,22+,23+,24-,27+,28-,29+,30-/m1/s1
• InChIKey: MBKUYULYIBPFSF-RIQJFFIGSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 599.583°C at 760 mmHg (Cal.)
• Flash point: 246.122°C (Cal.)