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Substance Name: Songarosaponin B
RN: 141544-47-0
InChIKey: UIZSXQJIIRBFOA-UHFFFAOYSA-N

Note

  • Oleane from Verbascum songaricum.

Molecular Formula

  • C54-H90-O22

Molecular Weight

  • 1091.283
 
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Names and Synonyms

Name of Substance

  • Songarosaponin B

Synonym

  • 3-O-((alpha-L-Rhamnopyranosyl(1-4)-beta-D-glucopyranosyl(1-3))-(beta-D-glucopyranosyl(1-2))-beta-D-fucopyranosyl)-olea-11-ene-3,13,23,28-tetrol

Systematic Name

  • beta-D-Galactopyranoside, (3beta,4alpha,13xi)-12,23,28-trihydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-2))-6-deoxy-

Registry Numbers

CAS Registry Number

  • 141544-47-0

System Generated Number

  • 0141544470

Structure Descriptors

InChI

1S/C54H90O22/c1-24-32(59)35(62)38(65)44(69-24)74-41-27(21-56)72-46(40(67)37(41)64)75-42-33(60)25(2)70-47(43(42)76-45-39(66)36(63)34(61)26(20-55)71-45)73-31-11-12-49(5)28(50(31,6)22-57)9-13-51(7)29(49)10-14-54(68)30-19-48(3,4)15-17-53(30,23-58)18-16-52(51,54)8/h10,14,24-47,55-68H,9,11-13,15-23H2,1-8H3

InChIKey

UIZSXQJIIRBFOA-UHFFFAOYSA-N

Smiles

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)CO)CCC7(C6C=CC8(C7(CCC9(C8CC(CC9)(C)C)CO)C)O)C)C)C)O)CO)O)O)O