Sarasinoside B1
[CAS# 114066-50-1]

Identification

• Name: Sarasinoside B1
• Synonyms: N-[2-[5-[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2-[[17-(1,5-Dimethyl-3-Oxo-Hex-4-Enyl)-4,4,10,13-Tetramethyl-1,2,3,5,6,7,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Hydroxy-Tetrahydropyran-3-Yl]Oxy-6-[[4,5-Dihydroxy-3-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-4,5-Dihydroxy-Tetrahydropyran-3-Yl]Acetamide; N-[2-[[5-[[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-[[17-(1,5-Dimethyl-3-Oxohex-4-Enyl)-4,4,10,13-Tetramethyl-1,2,3,5,6,7,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Hydroxy-3-Tetrahydropyranyl]Oxy]-6-[[4,5-Dihydroxy-3-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxymethyl]-4,5-Dihydroxy-3-Tetrahydropyranyl]Acetamide; N-[2-[5-(3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-4-Hydroxy-2-[[17-(3-Keto-1,5-Dimethyl-Hex-4-Enyl)-4,4,10,13-Tetramethyl-1,2,3,5,6,7,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]Tetrahydropyran-3-Yl]Oxy-6-[[4,5-Dihydroxy-3-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-4,5-Dihydroxy-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₆₁H₉₈N₂O₂₅
• Molecular Weight: 1259.44
• CAS Registry Number: 114066-50-1
• SMILES: C(OC2C(OC1C(C(O)C(C(O1)CO)O)O)C(O)C(CO2)O)C9C(O)C(C(C(OC8C(OC6CCC5(C4=C(C3CCC(C3(CC4)C)C(CC(C=C(C)C)=O)C)CCC5C6(C)C)C)OCC(OC7C(C(O)C(C(O7)CO)O)NC(=O)C)C8O)O9)NC(=O)C)O
• InChI: 1S/C61H98N2O25/c1-25(2)18-29(68)19-26(3)31-11-12-32-30-10-13-39-59(6,7)40(15-17-61(39,9)33(30)14-16-60(31,32)8)86-58-53(47(74)38(24-81-58)85-54-41(62-27(4)66)48(75)44(71)35(20-64)82-54)87-55-42(63-28(5)67)49(76)46(73)37(84-55)23-80-57-52(43(70)34(69)22-79-57)88-56-51(78)50(77)45(72)36(21-65)83-56/h18,26,31-32,34-58,64-65,69-78H,10-17,19-24H2,1-9H3,(H,62,66)(H,63,67)
• InChIKey: RLZMJVGFNSVJOP-UHFFFAOYSA-N

Properties

• Density: 1.433g/cm³ (Cal.)