(2S,4R,9beta,16alpha)-2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,22-trione
[CAS# 751-95-1]

Identification

• Name: (2S,4R,9beta,16alpha)-2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-ene-1,11,22-trione
• Synonyms: Cucurbitacin H; C08799
• Molecular Formula: C₃₀H₄₆O₈
• Molecular Weight: 534.68
• CAS Registry Number: 751-95-1
• SMILES: C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)CC(C(C)(C)O)O)O)O
• InChI: 1S/C30H46O8/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/h9,16-20,23,31-33,37-38H,10-14H2,1-8H3/t16-,17+,18-,19+,20?,23+,27+,28-,29+,30+/m1/s1
• InChIKey: ABNDMUIXCBUBLO-REQJDAJISA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 723.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 405.2±29.4°C (Cal.)