3,15,23-Trihydroxyspirost-5-En-26-One 3-O-(Rhamnopyranosyl-1-2)Glucopyranoside
[CAS# 159126-18-8]

Identification

• Name: 3,15,23-Trihydroxyspirost-5-En-26-One 3-O-(Rhamnopyranosyl-1-2)Glucopyranoside
• Synonyms: Foliumin; Spirost-5-En-26-One, 3-((2-O-(6-Deoxy-Alpha-L-Mannopyranosyl)-Beta-D-Glucopyranosyl)Oxy)-15,23-Dihydroxy-, (3Beta,15Alpha,22Beta,23R,25R)-; (-)-Foliumin
• Molecular Formula: C₃₉H₆₀O₁₅
• Molecular Weight: 768.89
• CAS Registry Number: 159126-18-8
• SMILES: [C@H]34[C@@]([C@@H]2[C@@H](OC1(OC(=O)[C@@H](C[C@H]1O)C)[C@H]2C)[C@@H]3O)(CC[C@H]5[C@H]4CC=C8[C@@]5(CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)CO)C8)C)C
• InChI: 1S/C39H60O15/c1-15-12-23(41)39(54-34(15)48)16(2)24-32(53-39)28(44)25-20-7-6-18-13-19(8-10-37(18,4)21(20)9-11-38(24,25)5)50-36-33(30(46)27(43)22(14-40)51-36)52-35-31(47)29(45)26(42)17(3)49-35/h6,15-17,19-33,35-36,40-47H,7-14H2,1-5H3/t15-,16+,17+,19+,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31-,32-,33-,35+,36-,37+,38-,39?/m1/s1
• InChIKey: HOMLVLVMIWTMDJ-OAKOKLGFSA-N

Properties

• Density: 1.451g/cm³ (Cal.)
• Boiling point: 947.081°C at 760 mmHg (Cal.)
• Flash point: 287.129°C (Cal.)