Neohyacinthoside
[CAS# 115491-59-3]

Identification

• Name: Neohyacinthoside
• Synonyms: Beta-D-Glucopyranoside, (3Beta)-Solanid-5-En-3-Yl O-6-Deoxy-Alpha-L-Mannopyranosyl-(1-2)-O-(O-Beta-D-Glucopyranosyl-(1-6)-O-Beta-D-Glucopyranosyl-(1-3)-Beta-D-Glucopyranosyl-(1-4))-
• Molecular Formula: C₅₇H₉₃NO₂₅
• Molecular Weight: 1192.35
• CAS Registry Number: 115491-59-3
• SMILES: [C@@H]9%10[C@@]8([C@H]([C@H]1C([C@@]2(C(=CC1)CC(CC2)[C@@]3(O[C@@H]([C@@H](O)[C@@H](O)[C@H]3O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)CO)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)CO)C)CC8)C[C@@H]9N%11[C@@H]([C@H]%10C)CC[C@@H](C%11)C)C
• InChI: 1S/C57H93NO25/c1-21-6-9-29-22(2)35-30(58(29)16-21)15-28-26-8-7-24-14-25(10-12-55(24,4)27(26)11-13-56(28,35)5)57(50(44(71)39(66)34(20-62)82-57)81-51-45(72)41(68)36(63)23(3)75-51)83-54-49(80-53-47(74)43(70)38(65)32(18-60)77-53)48(40(67)33(19-61)78-54)79-52-46(73)42(69)37(64)31(17-59)76-52/h7,21-23,25-54,59-74H,6,8-20H2,1-5H3/t21-,22+,23-,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-,57+/m0/s1
• InChIKey: SMPUPAPVQOZDSZ-ZREDAJMWSA-N

Properties

• Density: 1.544g/cm³ (Cal.)