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Substance Name: 6,7-Deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-daphnetoxin 20-acetate
RN: 58821-99-1
InChIKey: WPXPFZXBTGYEKJ-BWTNOSLUSA-N

Molecular Formula

  • C30-H34-O7

Molecular Weight

  • 506.592
 
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Names and Synonyms

Results Name

  • 6,7-Deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-daphnetoxin 20-acetate

Systematic Names

  • 7H-2,9b-Epoxyazuleno(5,4-e)-1,3-benzodioxol-7-one, 5-((acetyloxy)methyl)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-, (2S-(2alpha,3abeta,3bbeta,6abeta,9aalpha,9balpha,10alpha,11abeta))-
  • Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-acetate

Registry Numbers

CAS Registry Number

  • 58821-99-1

Other Registry Number

  • 87865-68-7

System Generated Number

  • 0058821991

Structure Descriptors

InChI

1S/C30H34O7/c1-17(2)28-13-19(4)30-23(26(28)35-29(36-28,37-30)15-21-9-7-6-8-10-21)12-22(16-34-20(5)31)14-27(33)24(30)11-18(3)25(27)32/h6-12,19,23-24,26,33H,1,13-16H2,2-5H3/t19-,23+,24-,26-,27-,28-,29+,30?/m0/s1

InChIKey

WPXPFZXBTGYEKJ-BWTNOSLUSA-N

Smiles

O1[C@@]2(O[C@@H]3[C@@]1(C[C@@H]([C@@]1([C@@H]3C=C(C[C@@]3(C(C(=C[C@H]13)C)=O)O)COC(=O)C)O2)C)C(=C)C)Cc1ccccc1