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Substance Name: beta-Solanine
RN: 142287-76-1
UNII: 721MLX7HAC
InChIKey: ZLSYCIYRYZUJCZ-ICOPVGSFSA-N

Molecular Weight

  • 705.9237
 
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Names and Synonyms

Name of Substance

  • beta-Solanine

Synonyms

  • beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-
  • beta1-Solanine
  • UNII-721MLX7HAC

Registry Numbers

CAS Registry Number

  • 142287-76-1

FDA UNII

  • 721MLX7HAC

System Generated Number

  • 0142287761

Structure Descriptors

InChI

1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1

InChIKey

ZLSYCIYRYZUJCZ-ICOPVGSFSA-N

Smiles

C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C