Cucurbitacin J
[CAS# 5979-41-9]

Identification

• Name: Cucurbitacin J
• Synonyms: (8S,9R,10R,13R,14S,16R,17R)-2,16-Dihydroxy-4,4,9,13,14-Pentamethyl-17-[(1R)-1,4,5-Trihydroxy-1,5-Dimethyl-2-Oxo-Hexyl]-8,10,12,15,16,17-Hexahydro-7H-Cyclopenta[A]Phenanthrene-3,11-Dione; (8S,9R,10R,13R,14S,16R,17R)-2,16-Dihydroxy-4,4,9,13,14-Pentamethyl-17-[(1R)-1,4,5-Trihydroxy-1,5-Dimethyl-2-Oxohexyl]-8,10,12,15,16,17-Hexahydro-7H-Cyclopenta[A]Phenanthrene-3,11-Dione; (8S,9R,10R,13R,14S,16R,17R)-2,16-Dihydroxy-4,4,9,13,14-Pentamethyl-17-[(1R)-1,4,5-Trihydroxy-2-Keto-1,5-Dimethyl-Hexyl]-8,10,12,15,16,17-Hexahydro-7H-Cyclopenta[A]Phenanthrene-3,11-Quinone
• Molecular Formula: C₃₀H₄₄O₈
• Molecular Weight: 532.67
• CAS Registry Number: 5979-41-9
• SMILES: [C@@]12([C@@]([C@@H]([C@](C(CC(C(O)(C)C)O)=O)(O)C)[C@@H](C1)O)(CC([C@@]3([C@H]2CC=C4C(C(=O)C(=C[C@@H]34)O)(C)C)C)=O)C)C
• InChI: 1S/C30H44O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3/t16-,18-,19+,20?,23+,27+,28-,29+,30+/m1/s1
• InChIKey: FBGLZDYMEULGSX-IDZQOQCMSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 737.388°C at 760 mmHg (Cal.)
• Flash point: 413.694°C (Cal.)