Fumigacin
[CAS# 29400-42-8]

Identification

• Name: Fumigacin
• Synonyms: (2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6,16-Diacetoxy-4,8,10,14-Tetramethyl-3,7-Dioxo-5,6,9,11,12,13,15,16-Octahydro-4H-Cyclopenta[A]Phenanthren-17-Ylidene]-6-Methyl-Hept-5-Enoic Acid; (2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6,16-Diacetoxy-4,8,10,14-Tetramethyl-3,7-Dioxo-5,6,9,11,12,13,15,16-Octahydro-4H-Cyclopenta[A]Phenanthren-17-Ylidene]-6-Methylhept-5-Enoic Acid; (2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6,16-Diacetoxy-3,7-Diketo-4,8,10,14-Tetramethyl-5,6,9,11,12,13,15,16-Octahydro-4H-Cyclopenta[A]Phenanthren-17-Ylidene]-6-Methyl-Hept-5-Enoic Acid
• Molecular Formula: C₃₃H₄₄O₈
• Molecular Weight: 568.71
• CAS Registry Number: 29400-42-8
• SMILES: [C@@]23(C)[C@]1(C)[C@H](\C([C@H](C1)OC(C)=O)=C(/CCC=C(C)C)C(=O)O)CC[C@H]2[C@]4(C)[C@@H]([C@@H](C3=O)OC(C)=O)[C@H](C)C(C=C4)=O
• InChI: 1S/C33H44O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22,24-25,27-28H,9,11-13,16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1
• InChIKey: MDFZYGLOIJNNRM-OAJDADRGSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 675.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 209.0±25.0°C (Cal.)