Genkwadaphnin

CAS Registry Number®

55073-32-0

CAS Name

Genkwadaphnin

Molecular Formula

C34H34O10

Molecular Mass

602.63

Cite this Page

Genkwadaphnin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55073-32-0 (retrieved 2025-02-21) (CAS RN: 55073-32-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=QKMXESBAFIKRAD-MGAVNPOISA-N

SMILES

C[C@H]1[C@]23[C@]([C@@]4([C@](C(C)=C)([C@@H]1OC(=O)C5=CC=CC=C5)O[C@](O2)(O4)C6=CC=CC=C6)[H])([C@]7([C@](CO)(O7)[C@@H](O)[C@@]8(O)[C@]3(C=C(C)C8=O)[H])[H])[H]

Canonical SMILES

O=C(OC1C(C)C23OC4(OC(C3C5OC5(CO)C(O)C6(O)C(=O)C(=CC62)C)C1(O4)C(=C)C)C=7C=CC=CC7)C=8C=CC=CC8

Other Names for this Substance

  • 6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 10-(benzoyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-
  • Daphnetoxin, 12-(benzoyloxy)-, (12β)-
  • (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-10-(Benzoyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one
  • Genkwadaphnin
  • 12-(Benzoyloxy)daphnetoxin

View All

Deleted or Replaced CAS Registry Numbers

83932-00-7

CAS INSIGHTSTM
Samples on a microarray, illustration