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Substance Name: Lemmatoxin
RN: 53043-29-1
InChIKey: TYICKMXQSIBGGU-MFGNEZQYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C48-H78-O18

Molecular Weight

  • 943.126
 
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Names and Synonyms

Results Name

  • Lemmatoxin

Synonyms

  • BRN 1677296
  • Lemmatoxin
  • Oleanoglycotoxin B

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-beta-D-galactopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-, (3-beta)-

Registry Numbers

CAS Registry Number

  • 53043-29-1

System Generated Number

  • 0053043291

Structure Descriptors

InChI

1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-36(58)38(66-40-35(57)33(55)31(53)25(20-50)62-40)37(26(21-51)63-41)65-39-34(56)32(54)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48-/m0/s1

InChIKey

TYICKMXQSIBGGU-MFGNEZQYSA-N

Smiles

C1(C)(CC[C@@]2(CC[C@@]3(C(=CC[C@@H]4[C@@]5([C@@H](CC[C@@]34C)C([C@H](CC5)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)O)(C)C)C)[C@H]2C1)C)C(O)=O)C