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Substance Name: Orbicuside B
RN: 105801-17-0
InChIKey: IUSQHZMTRKEVLT-LPDHUPCYSA-N

Molecular Formula

  • C30-H38-O10

Molecular Weight

  • 558.6202
 
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Names and Synonyms

Results Name

  • Orbicuside B

Synonyms

  • (+)-Orbicuside B
  • Orbicuside B

Systematic Name

  • Bufa-20,22-dienolide, 7,8-epoxy-11,12,14-trihydroxy-2,2,3-((tetrahydro-6-methyl-2H-pyran-4,3,2-triyl)tris(oxy))-, (2beta(2S,3S,4S,6S),3beta,5alpha,7beta,11alpha,12beta)-

Registry Numbers

CAS Registry Number

  • 105801-17-0

System Generated Number

  • 0105801170

Structure Descriptors

InChI

1S/C30H38O10/c1-13-8-17-22-25(36-13)37-18-9-15-10-19-30(39-19)23(26(15,2)12-28(18,38-17)40-22)21(32)24(33)27(3)16(6-7-29(27,30)34)14-4-5-20(31)35-11-14/h4-5,11,13,15-19,21-25,32-34H,6-10,12H2,1-3H3/t13-,15+,16+,17-,18+,19-,21-,22-,23+,24+,25-,26-,27-,28-,29+,30-/m0/s1

InChIKey

IUSQHZMTRKEVLT-LPDHUPCYSA-N

Smiles

C[C@H]1C[C@@H]2O[C@]34C[C@@]5(C)[C@H](C[C@H]3O[C@H](O1)[C@H]2O4)C[C@@H]6O[C@]67[C@@H]5[C@H](O)[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=COC(=O)C=C9