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Substance Name: Incanumine
RN: 128585-03-5
InChIKey: JUIQDBJRSFBVFU-UHFFFAOYSA-N

Note

  • Steroidal alkaloid glycoside from berries of Solanum incanum.

Molecular Formula

  • C49-H79-N-O19

Molecular Weight

  • 986.151
 
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Names and Synonyms

Name of Substance

  • Incanumine

Synonyms

  • (3beta,22alpha,25R)-Spirosol-5-en-3-yl O-beta-D-xylopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-L-mannopyranosyl-(1-4))-beta-D-glucopyranoside
  • O(3)-(beta-Xylopyranosyl-(1-3(glu))-(beta-xylopyranosyl-(1-4)-alpha-rhamnopyranosyl-(1-4(glu)))-beta-glucopyranosyl)-solasodine

Systematic Name

  • beta-D-Glucopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl O-beta-D-xylopyranosyl-(1-3)-O-(O-beta-D-xylopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl-(1-4))-

Registry Numbers

CAS Registry Number

  • 128585-03-5

System Generated Number

  • 0128585035

Structure Descriptors

InChI

1S/C49H79NO19/c1-20-8-13-49(50-16-20)21(2)32-30(69-49)15-27-25-7-6-23-14-24(9-11-47(23,4)26(25)10-12-48(27,32)5)64-46-39(60)42(68-44-37(58)34(55)29(53)19-62-44)41(31(17-51)65-46)67-45-38(59)35(56)40(22(3)63-45)66-43-36(57)33(54)28(52)18-61-43/h6,20-22,24-46,50-60H,7-19H2,1-5H3

InChIKey

JUIQDBJRSFBVFU-UHFFFAOYSA-N

Smiles

O1C[C@@H](O)[C@@H]([C@@H]([C@@H]1O[C@@H]1[C@@H](O[C@@H](O[C@@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)O)O[C@@H]2CC[C@@]3([C@@H]4CC[C@@]5([C@@H]6[C@@H]([C@@]7(CC[C@@H](CN7)C)O[C@@H]6C[C@@H]5[C@@H]4CC=C3C2)C)C)C)CO)[C@@H](O)[C@@H]1O)C)O)O