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Substance Name: Mimengoside B
RN: 141896-31-3
InChIKey: FOSCLSOVGLTOKV-UHFFFAOYSA-N

Note

  • From Buddleja madagascariensis.

Molecular Formula

  • C55-H92-O22

Molecular Weight

  • 1105.31
 
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Names and Synonyms

Name of Substance

  • Mimengoside B

Synonyms

  • Ilwensisaponin C
  • Mimengoside B

Systematic Name

  • beta-D-Galactopyranoside, (3beta,4alpha,11beta)-23,28-dihydroxy-11-methoxyolean-12-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

  • 141896-31-3

System Generated Number

  • 0141896313

Structure Descriptors

InChI

1S/C55H92O22/c1-24-33(60)36(63)39(66)46(70-24)75-42-30(21-57)73-48(41(68)38(42)65)76-43-34(61)25(2)71-49(44(43)77-47-40(67)37(64)35(62)29(20-56)72-47)74-32-11-12-51(5)31(52(32,6)22-58)10-13-54(8)45(51)28(69-9)18-26-27-19-50(3,4)14-16-55(27,23-59)17-15-53(26,54)7/h18,24-25,27-49,56-68H,10-17,19-23H2,1-9H3

InChIKey

FOSCLSOVGLTOKV-UHFFFAOYSA-N

Smiles

O([C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1[C@@H]([C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H](O[C@@H](O[C@@H]3[C@@]([C@@H]4CC[C@@]5([C@@]6(C)CC[C@@]7(CO)CCC(C)(C)C[C@@H]7C6=C[C@@H]([C@@H]5[C@@]4(CC3)C)OC)C)(CO)C)[C@@H]2O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)C)O)O[C@@H]1CO)O)O