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Substance Name: Genkwadaphnin
RN: 55073-32-0
InChIKey: QKMXESBAFIKRAD-LPHDITAFSA-N

Note

  • From Daphne genkwa.

Classification Code

  • Mutation Data

Molecular Formula

  • C34-H34-O10

Molecular Weight

  • 602.633
 
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Names and Synonyms

Name of Substance

  • Genkwadaphnin

Synonyms

  • 12-beta-(Benzoyloxy)daphnetoxin
  • BRN 1675425
  • Genkwadaphnin

Systematic Names

  • Daphnetoxin, 12-(benzoyloxy)-, (12-beta)-
  • Daphnetoxin, 12-(benzoyloxy)-, (12beta)-

Registry Numbers

CAS Registry Number

  • 55073-32-0

System Generated Number

  • 0055073320

Structure Descriptors

InChI

1S/C34H34O10/c1-17(2)32-25(40-28(37)20-11-7-5-8-12-20)19(4)33-22-15-18(3)24(36)31(22,39)29(38)30(16-35)26(41-30)23(33)27(32)42-34(43-32,44-33)21-13-9-6-10-14-21/h5-15,19,22-23,25-27,29,35,38-39H,1,16H2,2-4H3/t19-,22-,23+,25-,26+,27-,29-,30+,31-,32+,33+,34+/m1/s1

InChIKey

QKMXESBAFIKRAD-LPHDITAFSA-N

Smiles

C1(=C[C@H]2[C@]34[C@H]([C@H]5O[C@@](O[C@@]5(C(C)=C)[C@@H](OC(=O)c5ccccc5)[C@H]3C)(c3ccccc3)O4)[C@@H]3O[C@]3(CO)[C@H]([C@@]2(C1=O)O)O)C