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Substance Name: Methylepoxyproscillaridin
RN: 116387-44-1
InChIKey: ZXTOHKKHNURMFY-FWYUESJRSA-N

Molecular Formula

  • C31-H44-O9

Molecular Weight

  • 560.6796
 
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Names and Synonyms

Name of Substance

  • Methylepoxyproscillaridin

Synonyms

  • (3beta)-3-((6-Deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-4,5-epoxy-14-hydroxybufa-20,22-dienolide
  • 3'-Methyl-4'-5'-epoxyproscillaridin
  • p35 (Methylepoxyproscillaridin)

Systematic Name

  • Bufa-20,22-dienolide, 3-((6-deoxy-3-O-methyl-alpha-L-mannopyranosyl)oxy)-4,5-epoxy-14-hydroxy-, (3beta)-

Registry Numbers

CAS Registry Number

  • 116387-44-1

System Generated Number

  • 0116387441

Structure Descriptors

InChI

1S/C31H44O9/c1-16-23(33)25(36-4)24(34)27(38-16)39-21-10-12-29(3)19-7-11-28(2)18(17-5-6-22(32)37-15-17)8-13-30(28,35)20(19)9-14-31(29)26(21)40-31/h5-6,15-16,18-21,23-27,33-35H,7-14H2,1-4H3/t16-,18+,19-,20+,21-,23-,24+,25+,26?,27-,28+,29+,30-,31?/m0/s1

InChIKey

ZXTOHKKHNURMFY-FWYUESJRSA-N

Smiles

c1(ccc(co1)[C@@H]1CC[C@@]2([C@@]1(CC[C@@H]1[C@@]3([C@@]4(CC[C@@H]21)[C@@H]([C@@H](CC3)O[C@@H]1OC[C@@H]([C@@]([C@@H]1O)(C)OC)O)O4)C)C)O)=O