Cucurbitacin C
[CAS# 5988-76-1]

Identification

• Name: Cucurbitacin C
• Synonyms: [(E,5R)-5-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-Dihydroxy-9-(Hydroxymethyl)-4,4,13,14-Tetramethyl-11-Oxo-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-1,1-Dimethyl-4-Oxo-Hex-2-Enyl] Acetate; Acetic Acid [(E,5R)-5-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-Dihydroxy-9-(Hydroxymethyl)-4,4,13,14-Tetramethyl-11-Oxo-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-1,1-Dimethyl-4-Oxohex-2-Enyl] Ester; Acetic Acid [(E,5R)-5-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-Dihydroxy-11-Keto-4,4,13,14-Tetramethyl-9-Methylol-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-4-Keto-1,1-Dimethyl-Hex-2-Enyl] Ester
• Molecular Formula: C₃₂H₄₈O₈
• Molecular Weight: 560.73
• CAS Registry Number: 5988-76-1
• SMILES: [C@@]12([C@@]([C@@H]([C@](C(/C=C/C(OC(=O)C)(C)C)=O)(O)C)[C@@H](C1)O)(CC([C@@]3([C@H]2CC=C4C([C@@H](O)CC[C@@H]34)(C)C)CO)=O)C)C
• InChI: 1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1
• InChIKey: DGIGXLXLGBAJJN-TUOUHCSQSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 701.002°C at 760 mmHg (Cal.)
• Flash point: 218.635°C (Cal.)