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Substance Name: Carda-16,20(22)-dienolide, 3-(acetyloxy)-14-hydroxy-, (3beta,5beta)-
RN: 13075-65-5
InChIKey: ZFOWEHOYGUOBFU-GSXJYBCVSA-N

Molecular Formula

  • C25-H34-O5

Molecular Weight

  • 414.5386
 
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Names and Synonyms

Synonyms

  • 16-Anhydrogitoxigenin 3-acetate
  • 3-(Acetyloxy)-14-hydroxycarda-16,20(22)-dienolide (3beta,5beta)-
  • 5beta-Carda-16,20(22)-dienolide, 3beta,14-dihydroxy-, 3-acetate

Systematic Name

  • Carda-16,20(22)-dienolide, 3-(acetyloxy)-14-hydroxy-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 13075-65-5

System Generated Number

  • 0013075655

Structure Descriptors

InChI

1S/C25H34O5/c1-15(26)30-18-6-9-23(2)17(13-18)4-5-21-20(23)7-10-24(3)19(8-11-25(21,24)28)16-12-22(27)29-14-16/h8,12,17-18,20-21,28H,4-7,9-11,13-14H2,1-3H3/t17-,18+,20+,21-,23+,24-,25+/m1/s1

InChIKey

ZFOWEHOYGUOBFU-GSXJYBCVSA-N

Smiles

[C@@]12([C@@]([C@H]3[C@@H]([C@@]4([C@H](CC3)C[C@H](CC4)OC(=O)C)C)CC2)(CC=C1C1=CC(=O)OC1)O)C