3-O-(beta-D-Glucopyranosyl(1-3)-beta-D-Glucopyranosyl(1-2)-beta-D-Glucopyranosyl((3-1)-beta D-Xylopyranosyl)(1-4)-beta-D-Galactopyranosyl)(25R)-Spirost-5-Ene-2alpha,3beta-Diol
[CAS# 137318-80-0]

Identification

• Name: 3-O-(beta-D-Glucopyranosyl(1-3)-beta-D-Glucopyranosyl(1-2)-beta-D-Glucopyranosyl((3-1)-beta D-Xylopyranosyl)(1-4)-beta-D-Galactopyranosyl)(25R)-Spirost-5-Ene-2alpha,3beta-Diol
• Synonyms: Nocturnoside A; Beta-D-Galactopyranoside, (2Alpha,3Beta,25R)-2-Hydroxyspirost-5-En-3-Yl O-Beta-D-Glucopyranosyl-(1-3)-O-Beta-D-Glucopyranosyl-(1-2)-O-(Beta-D-Xylopyranosyl-(1-3))-O-Beta-D-Glucopyranosyl-(1-4)-
• Molecular Formula: C₅₆H₉₀O₂₈
• Molecular Weight: 1211.31
• CAS Registry Number: 137318-80-0
• SMILES: [C@@H]23[C@@H](OC1(OC[C@@H](CC1)C)[C@H]2C)CC4[C@@]3(CCC5C4CC=C6[C@@]5(CC(O)C(C6)[C@]9(O[C@@H]([C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)[C@H]9O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)CO)O[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11O)CO)C)C
• InChI: 1S/C56H90O28/c1-20-7-10-55(75-18-20)21(2)34-29(82-55)12-25-23-6-5-22-11-26(27(61)13-54(22,4)24(23)8-9-53(25,34)3)56(84-52-45(73)41(69)38(66)32(16-59)78-52)48(81-49-42(70)35(63)28(62)19-74-49)47(80-51-44(72)40(68)37(65)31(15-58)77-51)46(33(17-60)83-56)79-50-43(71)39(67)36(64)30(14-57)76-50/h5,20-21,23-52,57-73H,6-19H2,1-4H3/t20-,21+,23?,24?,25?,26?,27?,28-,29+,30-,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48-,49+,50+,51+,52+,53+,54+,55?,56+/m1/s1
• InChIKey: HXWQHQCQOBWGDB-VDYHUCKYSA-N

Properties

• Density: 1.597g/cm³ (Cal.)