1-O-(Fucopyranosyl-(4'-Sulfate))-5-Spirostane-1,3-Diol
[CAS# 151589-15-0]

Identification

• Name: 1-O-(Fucopyranosyl-(4'-Sulfate))-5-Spirostane-1,3-Diol
• Synonyms: 1-O-Fucso4-Ssd; Brisbagenin Fucoside-4-(Hydrogen Sulfate); Beta-L-Galactopyranoside, (1Beta,3Beta,5Alpha,25R)-3-Hydroxyspirostan-1-Yl 6-Deoxy-, 4-(Hydrogen Sulfate)
• Molecular Formula: C₃₃H₅₄O₁₁S
• Molecular Weight: 658.84
• CAS Registry Number: 151589-15-0
• SMILES: [C@@]34(C)[C@@H]2C(OC1(OC[C@@H](C)CC1)[C@H]2C)C[C@H]3[C@H]7[C@H](CC4)[C@@]6(C)[C@H](O[C@H]5O[C@@H](C)[C@@H](O[S](=O)(=O)O)[C@@H](O)[C@@H]5O)C[C@H](O)C[C@@H]6CC7
• InChI: 1S/C33H54O11S/c1-16-8-11-33(40-15-16)17(2)26-24(43-33)14-23-21-7-6-19-12-20(34)13-25(32(19,5)22(21)9-10-31(23,26)4)42-30-28(36)27(35)29(18(3)41-30)44-45(37,38)39/h16-30,34-36H,6-15H2,1-5H3,(H,37,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,24?,25+,26-,27-,28-,29+,30+,31-,32-,33?/m0/s1
• InChIKey: VEBWDEUHONOFKN-BEPJGEAPSA-N

Properties

• Density: 1.361g/cm³ (Cal.)