(3R,5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-Hydroxy-1,4,4,6-Tetramethyl-2,3,3a,5,8,8a-Hexahydroazulen-5-Yl]Ethyl]-2,2,5a,7-Tetramethyl-4,5,6,8,9,9a-Hexahydro-3H-Benzo[f]Oxepine-3,7-Diol
[CAS# 78518-73-7]

Identification

• Name: (3R,5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-Hydroxy-1,4,4,6-Tetramethyl-2,3,3a,5,8,8a-Hexahydroazulen-5-Yl]Ethyl]-2,2,5a,7-Tetramethyl-4,5,6,8,9,9a-Hexahydro-3H-Benzo[f]Oxepine-3,7-Diol
• Synonyms: Sipholenol A; Nsc378977; Sipholenol-A
• Molecular Formula: C₃₀H₅₂O₄
• Molecular Weight: 476.74
• CAS Registry Number: 78518-73-7
• SMILES: [C@]12([C@H]([C@](O)(C)CC[C@H]1OC(C)(C)[C@@H](CC2)O)CC[C@@H]4C([C@H]3[C@H]([C@@](O)(C)CC3)CC=C4C)(C)C)C
• InChI: 1S/C30H52O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h9,20-25,31-33H,10-18H2,1-8H3/t20-,21+,22+,23+,24+,25+,28+,29+,30-/m0/s1
• InChIKey: LVWWPNAIMBYRKG-KOHQYJKCSA-N

Properties

• Density: 1.015g/cm³ (Cal.)
• Boiling point: 572.293°C at 760 mmHg (Cal.)
• Flash point: 299.912°C (Cal.)