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Substance Name: Alpha-solamargine
RN: 20318-30-3
UNII: 5YG8GM566A
InChIKey: QCTMYNGDIBTNSK-AQZQQWEISA-N

Note

  • Solasonine is weakly anti-fungal.

Molecular Formula

  • C45-H73-N-O16

Molecular Weight

  • 884.0627
 
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Names and Synonyms

Name of Substance

  • Alpha-solamargine

Synonyms

  • alpha-Solamarine
  • UNII-5YG8GM566A

Systematic Name

  • beta-D-Galactopyranoside, (3beta,22beta,25S)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-

Registry Numbers

CAS Registry Number

  • 20318-30-3

FDA UNII

  • 5YG8GM566A

System Generated Number

  • 0020318303

Structure Descriptors

InChI

1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1

InChIKey

QCTMYNGDIBTNSK-AQZQQWEISA-N

Smiles

C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)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[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1