8-[(27Z)-22,26-Dihydroxy-21,40-Dimethyl-3-Oxo-2,11,15,35,39-Pentaoxapentacyclo[32.2.2.1^12,16.1^20,24.0^10,14]Tetraconta-4,6,8,17,27,31,37-Heptaen-36-Yl]-6-Methyl-7-Nonenoic Acid
[CAS# 107745-54-0]

Identification

• Name: 8-[(27Z)-22,26-Dihydroxy-21,40-Dimethyl-3-Oxo-2,11,15,35,39-Pentaoxapentacyclo[32.2.2.1^12,16.1^20,24.0^10,14]Tetraconta-4,6,8,17,27,31,37-Heptaen-36-Yl]-6-Methyl-7-Nonenoic Acid
• Synonyms: Sorangicin A, 22-deoxy-; Sorangicin B; Sorangicin-B
• Molecular Formula: C₄₇H₆₆O₁₀
• Molecular Weight: 791.02
• CAS Registry Number: 107745-54-0
• SMILES: O=C/2OC1/C=C/C(OC1C(=C/C(C)CCCCC(=O)O)\C)C/C=C\CC\C=C/C(O)CC5OC(C\C=C/C4OC3CC(OC3/C=C\C=C\C=C\2)C4C)C(C)C(O)C5
• InChI: 1S/C47H66O10/c1-31(17-14-15-23-45(50)51)27-32(2)47-42-26-25-36(54-47)19-11-7-5-6-10-18-35(48)28-37-29-38(49)33(3)39(53-37)21-16-22-40-34(4)43-30-44(55-40)41(56-43)20-12-8-9-13-24-46(52)57-42/h7-13,16,18,20,22,24-27,31,33-44,47-49H,5-6,14-15,17,19,21,23,28-30H2,1-4H3,(H,50,51)/b9-8-,11-7-,18-10-,20-12-,22-16-,24-13-,32-27-
• InChIKey: RFMDZQXDVDIKRD-LRAFYNGFSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 932.231°C at 760 mmHg (Cal.)
• Flash point: 269.917°C (Cal.)
• Refractive index: 1.515 (Cal.)