(3beta,6alpha,16beta,21beta)-Hopane-3,6,16,22-Tetrol
[CAS# 22550-76-1]

Identification

• Name: (3beta,6alpha,16beta,21beta)-Hopane-3,6,16,22-Tetrol
• Synonyms: A'-Neogammacerane-3,6,16,22-tetrol, (3β,6α,16β,21β)-; mollugogenol A
• Molecular Formula: C₃₀H₅₂O₄
• Molecular Weight: 476.73
• CAS Registry Number: 22550-76-1
• SMILES: OC(C)(C)[C@H]5[C@H]4[C@]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H]([C@@H](O)C1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)C[C@@H]4O)(C)CC5
• InChI: 1S/C30H52O4/c1-25(2)22(33)12-14-28(6)21-10-9-20-27(5)13-11-17(26(3,4)34)23(27)18(31)15-29(20,7)30(21,8)16-19(32)24(25)28/h17-24,31-34H,9-16H2,1-8H3/t17-,18+,19+,20-,21-,22+,23-,24+,27-,28-,29-,30-/m1/s1
• InChIKey: USLXSBTYECTZSS-HAYDXIIZSA-N

Properties

• Density: 1.103g/cm³ (Cal.)
• Boiling point: 576.31°C at 760 mmHg (Cal.)
• Flash point: 234.815°C (Cal.)
• Refractive index: 1.545 (Cal.)