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Substance Name: 5-beta-Card-20(22)-enolide, 3-beta,14,16-beta-trihydroxy-, 3,16-diacetate
RN: 5996-03-2
InChIKey: ANNNOIZFDGPVNC-UZGQUCAOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H38-O7

Molecular Weight

  • 474.59
 
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Names and Synonyms

Synonyms

  • 3,16-Diacetylgitoxigenin
  • 3,16-O-Diacetylgitoxigenin
  • 3-beta,14,16-beta-Trihydroxy-5-beta-card-20(22)-enolide 3,16-diacetate
  • 4-18-00-02459 (Beilstein Handbook Reference)
  • BRN 0066387
  • Card-20(22)-enolide, 3,16-bis(acetyloxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-
  • Diacetylgitoxigenin
  • Gitoxigenin 3,16-diacetate
  • Gitoxingenin acetate

Systematic Name

  • 5-beta-Card-20(22)-enolide, 3-beta,14,16-beta-trihydroxy-, 3,16-diacetate

Registry Numbers

CAS Registry Number

  • 5996-03-2

System Generated Number

  • 0005996032

Structure Descriptors

InChI

1S/C27H38O7/c1-15(28)33-19-7-9-25(3)18(12-19)5-6-21-20(25)8-10-26(4)24(17-11-23(30)32-14-17)22(34-16(2)29)13-27(21,26)31/h11,18-22,24,31H,5-10,12-14H2,1-4H3/t18-,19+,20?,21?,22+,24+,25+,26-,27+/m1/s1

InChIKey

ANNNOIZFDGPVNC-UZGQUCAOSA-N

Smiles

C1[C@@]2([C@@]([C@H](C3=CC(=O)OC3)[C@H]1OC(C)=O)(CC[C@@H]1[C@@H]2CC[C@H]2[C@@]1(CC[C@@H](C2)OC(C)=O)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
pigeon LD50 parenteral 1280ug/kg (1.28mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 8, Pg. 18, 1960.