(2E,4S,5S,6E,8E)-5-Hydroxy-10-[(3S,4R,6R,8S,10R)-10-[(1E,3E)-5-Hydroxy-3-Methyl-5-Oxo-Penta-1,3-Dienyl]-8-(4-Hydroxy-4-Oxo-Butanoyl)Oxy-3-Methyl-8-Pentyl-5,11-Dioxaspiro[5.5]Undecan-4-Yl]-4,8-Dimethyl-Deca-2,6,8-Trienoic Acid
[CAS# 144860-70-8]

Identification

• Name: (2E,4S,5S,6E,8E)-5-Hydroxy-10-[(3S,4R,6R,8S,10R)-10-[(1E,3E)-5-Hydroxy-3-Methyl-5-Oxo-Penta-1,3-Dienyl]-8-(4-Hydroxy-4-Oxo-Butanoyl)Oxy-3-Methyl-8-Pentyl-5,11-Dioxaspiro[5.5]Undecan-4-Yl]-4,8-Dimethyl-Deca-2,6,8-Trienoic Acid
• Synonyms: Reveromycin D
• Molecular Formula: C₃₇H₅₄O₁₁
• Molecular Weight: 674.82
• CAS Registry Number: 144860-70-8
• SMILES: CCCCC[C@@]1(C[C@@H](O[C@@]2(C1)CC[C@@H]([C@H](O2)C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O
• InChI: 1S/C37H54O11/c1-6-7-8-20-36(48-35(45)18-17-33(41)42)23-29(13-9-26(3)22-34(43)44)46-37(24-36)21-19-28(5)31(47-37)15-11-25(2)10-14-30(38)27(4)12-16-32(39)40/h9-14,16,22,27-31,38H,6-8,15,17-21,23-24H2,1-5H3,(H,39,40)(H,41,42)(H,43,44)/b13-9+,14-10+,16-12+,25-11+,26-22+/t27-,28-,29-,30-,31+,36-,37-/m0/s1
• InChIKey: LAYXXMUMPHOKOM-RCSQVYJHSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 855.254°C at 760 mmHg (Cal.)
• Flash point: 258.603°C (Cal.)
• Refractive index: 1.559 (Cal.)