Decahydro-2,2,5A,7-Tetramethyl-6-[2-(2,3,3A,4,6,7,8,8A-Octahydro-1-Hydroxy-1,4,4,6-Tetramethylazulen-5(1H)-Ylidene)Ethyl]-1-Benzoxepin-3,7-Diol
[CAS# 86748-29-0]

Identification

• Name: Decahydro-2,2,5A,7-Tetramethyl-6-[2-(2,3,3A,4,6,7,8,8A-Octahydro-1-Hydroxy-1,4,4,6-Tetramethylazulen-5(1H)-Ylidene)Ethyl]-1-Benzoxepin-3,7-Diol
• Synonyms: (3R,5aR,6R,7S,9aR)-6-{(2Z)-2-[(1R,3aR,8aR)-1-Hydroxy-1,4,4,6-tetramethyloctahydro-5(1H)-azulenyliden]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepin-3,7-diol; (3R,5aR,6R,7S,9aR)-6-{(2Z)-2-[(1R,3aR,8aR)-1-Hydroxy-1,4,4,6-tetramethyloctahydro-5(1H)-azulenylidene]ethyl}-2,2,5a,7-tetramethyldecahydro-1-benzoxepine-3,7-diol; (3R,5aR,6R,7S,9aR)-6-{(2Z)-2-[(1R,3aR,8aR)-1-Hydroxy-1,4,4,6-tétraméthyloctahydro-5(1H)-azulénylidène]éthyl}-2,2,5a,7-tétraméthyldécahydro-1-benzoxépine-3,7-diol
• Molecular Formula: C₃₀H₅₂O₄
• Molecular Weight: 476.73
• CAS Registry Number: 86748-29-0
• SMILES: CC\1CC[C@@H]2[C@@H](CC[C@@]2(C)O)C(/C1=C\C[C@@H]3[C@]4(CC[C@H](C(O[C@@H]4CC[C@]3(C)O)(C)C)O)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/h11,19,21-25,31-33H,9-10,12-18H2,1-8H3/b20-11-/t19?,21-,22-,23-,24-,25-,28-,29-,30+/m1/s1
• InChIKey: RACKWSGWUFGHEN-BSBUDCALSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 574.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 301.0±30.1°C (Cal.)