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Substance Name: 16-Anhydrogitoxigenin
RN: 2763-20-4
UNII: 1FT289KX2B
InChIKey: YGABECOLNBBTLH-OPBLIOOKSA-N

Molecular Formula

  • C23-H32-O4

Molecular Weight

  • 372.5018
 
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Names and Synonyms

Name of Substance

  • 16-Anhydrogitoxigenin

Synonyms

  • (3beta,5beta)-3,14-Dihydroxycardo-16,20(22)-dienolide
  • NSC 160845
  • RHODEXIN B
  • UNII-1FT289KX2B

Systematic Name

  • Cardo-16,20(22)-dienolide, 3,14-dihydroxy-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 2763-20-4

FDA UNII

  • 1FT289KX2B

System Generated Number

  • 0002763204

Structure Descriptors

InChI

1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h7,11,15-16,18-19,24,26H,3-6,8-10,12-13H2,1-2H3/t15-,16+,18+,19-,21+,22-,23+/m1/s1

InChIKey

YGABECOLNBBTLH-OPBLIOOKSA-N

Smiles

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC=C4C5=CC(=O)OC5)O)C)O