Cucurbitacin F
[CAS# 5939-57-1]

Identification

• Name: Cucurbitacin F
• Synonyms: (2S,3S,8S,9R,10R,13R,14S,16R)-17-[(E,1R)-1,5-Dihydroxy-1,5-Dimethyl-2-Oxo-Hex-3-Enyl]-2,3,16-Trihydroxy-4,4,9,13,14-Pentamethyl-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-11-One; (2S,3S,8S,9R,10R,13R,14S,16R)-17-[(E,1R)-1,5-Dihydroxy-1,5-Dimethyl-2-Oxohex-3-Enyl]-2,3,16-Trihydroxy-4,4,9,13,14-Pentamethyl-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-11-One; (2S,3S,8S,9R,10R,13R,14S,16R)-17-[(E,1R)-1,5-Dihydroxy-2-Keto-1,5-Dimethyl-Hex-3-Enyl]-2,3,16-Trihydroxy-4,4,9,13,14-Pentamethyl-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-11-One
• Molecular Formula: C₃₀H₄₆O₇
• Molecular Weight: 518.69
• CAS Registry Number: 5939-57-1
• SMILES: [C@H]13[C@]([C@H]2C(=CC1)C([C@H](O)[C@@H](O)C2)(C)C)(C(=O)C[C@]4([C@]3(C[C@@H](O)C4[C@@](O)(C(=O)\C=C\C(O)(C)C)C)C)C)C
• InChI: 1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23?,24-,27+,28-,29+,30+/m1/s1
• InChIKey: AOHIGMQGPFTKQX-QJDOENQJSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 669.5°C at 760 mmHg (Cal.)
• Flash point: 372.682°C (Cal.)