(3R,5aR,6R,7S)-6-{2-[(1R,3aR,7S,8aR)-1,7-Dihydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,7,8,8a-octahydro-5-azulenyl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol
[CAS# 86748-31-4]

Identification

• Name: (3R,5aR,6R,7S)-6-{2-[(1R,3aR,7S,8aR)-1,7-Dihydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,7,8,8a-octahydro-5-azulenyl]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol
• Synonyms: sipholenol H
• Molecular Formula: C₃₀H₅₂O₅
• Molecular Weight: 492.73
• CAS Registry Number: 86748-31-4
• SMILES: CC3(C)C(\CC[C@H]1[C@@](C)(O)CCC2OC(C)(C)[C@H](O)CC[C@]12C)=C(\C)[C@@H](O)C[C@H]4[C@@](O)(C)CC[C@@H]34
• InChI: 1S/C30H52O5/c1-18-19(26(2,3)20-11-15-29(7,33)21(20)17-22(18)31)9-10-23-28(6)14-12-24(32)27(4,5)35-25(28)13-16-30(23,8)34/h20-25,31-34H,9-17H2,1-8H3/t20-,21-,22+,23-,24-,25?,28-,29-,30+/m1/s1
• InChIKey: SERJIGRFXKIBIE-PQODFPGLSA-N

Properties

• Density: 1.06g/cm³ (Cal.)
• Boiling point: 607.469°C at 760 mmHg (Cal.)
• Flash point: 321.186°C (Cal.)