Momordiniic
[CAS# 96990-19-1]

Identification

• Name: Momordiniic
• Synonyms: (2S,3S,4S,5R,6R)-6-[[(6Ar,6Bs,8As,12Ar,14Br)-4,4,6A,6B,11,11,14B-Heptamethyl-8A-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxycarbonyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-3,5-Dihydroxy-4-[(2S,3R,
• Molecular Formula: C₄₇H₇₄O₁₈
• Molecular Weight: 927.09
• CAS Registry Number: 96990-19-1
• SMILES: [C@@]56([C@]4(C([C@@]3(C(C(C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]2O)C(=O)O)CC3)(C)C)CC4)C)CC=C5[C@@H]8[C@](CC6)(C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)=O)CCC(C8)(C)C)C)C
• InChI: 1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-32(54)30(52)29(51)24(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-34(56)35(33(55)36(64-40)37(57)58)63-38-31(53)28(50)23(49)20-60-38/h8,22-36,38-40,48-56H,9-20H2,1-
• InChIKey: BAJBCZHVQXVBMJ-PQLKQRIHSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 996.511°C at 760 mmHg (Cal.)
• Flash point: 284.787°C (Cal.)