(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-8-Isopentyl-3-Methyl-5,11-Dioxaspiro[5.5]Undecan-4-Yl]-4,8-Dimethyl-Deca-2,6,8-Trienoic Acid
[CAS# 144860-69-5]

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-8-Isopentyl-3-Methyl-5,11-Dioxaspiro[5.5]Undecan-4-Yl]-4,8-Dimethyl-Deca-2,6,8-Trienoic Acid
• Synonyms: Reveromycin C
• Molecular Formula: C₃₇H₅₄O₁₁
• Molecular Weight: 674.82
• CAS Registry Number: 144860-69-5
• SMILES: C[C@H]1CC[C@@]2(C[C@@](C[C@@H](O2)/C=C/C(=C/C(=O)O)/C)(CCC(C)C)OC(=O)CCC(=O)O)O[C@@H]1C/C=C(\C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O
• InChI: 1S/C37H54O11/c1-24(2)17-19-36(48-35(45)16-15-33(41)42)22-29(11-7-26(4)21-34(43)44)46-37(23-36)20-18-28(6)31(47-37)13-9-25(3)8-12-30(38)27(5)10-14-32(39)40/h7-12,14,21,24,27-31,38H,13,15-20,22-23H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/b11-7+,12-8+,14-10+,25-9+,26-21+/t27-,28-,29-,30-,31+,36-,37-/m0/s1
• InChIKey: JWFFJNWIKINYDR-PYRBSKOOSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 851.312°C at 760 mmHg (Cal.)
• Flash point: 257.239°C (Cal.)
• Refractive index: 1.558 (Cal.)