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Substance Name: Songarosaponin C
RN: 141544-48-1
InChIKey: QCTOOMMAXGMSIZ-UWEADKLSSA-N

Note

  • Oleane from Verbascum songaricum.

Molecular Formula

  • C54-H88-O22

Molecular Weight

  • 1089.2672
 
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Names and Synonyms

Name of Substance

  • Songarosaponin C

Synonym

  • 3-O-((beta-D-Glucopyranosyl(1-4))-(beta-D-glucopyranosyl(1-3))-(beta-D-glucopyranosyl(1-2))-beta-D-fucopyranosyl)-13,28-epoxyolea-11-ene-3,23,-diol

Systematic Name

  • beta-D-Galactopyranoside, (3beta,4alpha)-13,28-epoxy-23-hydroxyolean-11-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-6-deoxy-

Registry Numbers

CAS Registry Number

  • 141544-48-1

System Generated Number

  • 0141544481

Structure Descriptors

InChI

1S/C54H88O22/c1-24-32(59)39(66)43(74-45-41(68)37(64)34(61)26(20-56)71-45)54(75-24,76-46-42(38(65)35(62)27(21-57)72-46)73-44-40(67)36(63)33(60)25(19-55)70-44)30-8-11-48(4)28(49(30,5)22-58)9-12-50(6)29(48)10-13-53-31-18-47(2,3)14-16-52(31,23-69-53)17-15-51(50,53)7/h10,13,24-46,55-68H,8-9,11-12,14-23H2,1-7H3/t24-,25-,26-,27-,28?,29?,30?,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,48+,49?,50-,51+,52?,53?,54+/m1/s1

InChIKey

QCTOOMMAXGMSIZ-UWEADKLSSA-N

Smiles

C[C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C2CC[C@]3(C(C2(C)CO)CC[C@@]4(C3C=CC56[C@]4(CCC7([C@@H]5CC(CC7)(C)C)CO6)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O