26-O-beta-D-Glucopyranosyl-3-O-beta-D-Glucopyranosyl-5beta-Furostan-3beta,22alpha,26-Triol
[CAS# 156857-60-2]

Identification

• Name: 26-O-beta-D-Glucopyranosyl-3-O-beta-D-Glucopyranosyl-5beta-Furostan-3beta,22alpha,26-Triol
• Synonyms: Filicinoside B; Beta-D-Glucopyranoside, (3Beta,5Beta,22Alpha,25S)-22-Hydroxyfurostan-3,26-Diyl Bis-; (-)-Filicinoside B
• Molecular Formula: C₃₉H₆₆O₁₄
• Molecular Weight: 758.94
• CAS Registry Number: 156857-60-2
• SMILES: [C@@H]1(CC[C@]4([C@@H](C1)CC[C@H]5[C@@H]3C[C@@H]2OC([C@H]([C@@H]2[C@@]3(C)CC[C@H]45)C)(CC[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO)C)O)C)O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO
• InChI: 1S/C39H66O14/c1-18(17-49-35-33(46)31(44)29(42)26(15-40)51-35)7-12-39(48)19(2)28-25(53-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)50-36-34(47)32(45)30(43)27(16-41)52-36/h18-36,40-48H,5-17H2,1-4H3/t18-,19-,20+,21-,22+,23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,39?/m0/s1
• InChIKey: DJKIYSUAUHFEBC-HPFSBQRHSA-N

Properties

• Density: 1.381g/cm³ (Cal.)
• Boiling point: 886.176°C at 760 mmHg (Cal.)
• Flash point: 489.742°C (Cal.)