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Substance Name: Soladulcoside B
RN: 137038-72-3
InChIKey: HYJKJYCNHQELHC-FVQRPIGGSA-N

Note

  • Isolated from Solanum dulcamara.

Molecular Formula

  • C45-H72-O18

Molecular Weight

  • 901.0458
 
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Names and Synonyms

Name of Substance

  • Soladulcoside B

Synonym

  • 3beta,23alpha-Dihydroxy-5alpha-spirostan-26-one 3-O-alpha-rhamnopyranosyl (1-2)-(alpha-rhamnopyranosyl-(1-4))-beta-glucopyranoside

Systematic Name

  • Spirostan-26-one, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-23-hydroxy-, (3beta,5alpha,23S,25R)-

Registry Numbers

CAS Registry Number

  • 137038-72-3

System Generated Number

  • 0137038723

Structure Descriptors

InChI

1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-36(54)34(52)31(49)20(4)57-41)37(32(50)27(16-46)59-42)60-40-35(53)33(51)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38-,40+,41+,42+,43+,44+,45?/m1/s1

InChIKey

HYJKJYCNHQELHC-FVQRPIGGSA-N

Smiles

C[C@@H]1C[C@@H](C2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[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)C)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1=O)O