(3beta,5alpha,15alpha,23S,25R)-3-((2-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl)Oxy)-15,23-Dihydroxy-Spirostan-26-One
[CAS# 137031-53-9]

Identification

• Name: (3beta,5alpha,15alpha,23S,25R)-3-((2-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl)Oxy)-15,23-Dihydroxy-Spirostan-26-One
• Synonyms: 3Beta,15Alpha,23Alpha-Trihydroxy-5Alpha-Spirostan-26-One 3-O-Alpha-Rhamnopyranosyl-(1-2)-Beta-Glucopyranoside; Soladulcoside A
• Molecular Formula: C₃₉H₆₂O₁₅
• Molecular Weight: 770.91
• CAS Registry Number: 137031-53-9
• SMILES: [C@@H]1(CC[C@]4([C@H](C1)CC[C@H]5[C@@H]3[C@H]([C@@H]2OC6([C@H]([C@@H]2[C@@]3(C)CC[C@H]45)C)OC([C@@H](C[C@@H]6O)C)=O)O)C)O[C@H]8[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@@H](O7)C)[C@@H](O)[C@H](O)[C@H](O8)CO
• InChI: 1S/C39H62O15/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/h15-33,35-36,40-47H,6-14H2,1-5H3/t15-,16+,17+,18+,19+,20-,21+,22-,23+,24+,25-,26+,27-,28-,29-,30+,31-,32-,33-,35+,36-,37+,38-,39?/m1/s1
• InChIKey: BVALVRBXQYLPOW-PDVVVGIASA-N

Properties

• Density: 1.434g/cm³ (Cal.)
• Boiling point: 935.952°C at 760 mmHg (Cal.)
• Flash point: 282.752°C (Cal.)