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Substance Name: 14-Hydroxy-3-oxo-1,4,20,22-bufatetraenolide
RN: 41059-91-0
InChIKey: YRBVLOVGZCCAQL-FIJLXMTKSA-N

Molecular Formula

  • C24-H28-O4

Molecular Weight

  • 380.4812
 
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Names and Synonyms

Name of Substance

  • 14-Hydroxy-3-oxo-1,4,20,22-bufatetraenolide

Synonym

  • Helleborogenone

Systematic Name

  • Bufa-1,4,20,22-tetraenolide, 14-hydroxy-3-oxo-

Registry Numbers

CAS Registry Number

  • 41059-91-0

System Generated Number

  • 0041059910

Structure Descriptors

InChI

1S/C24H28O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6-7,10,13-14,18-20,27H,4-5,8-9,11-12H2,1-2H3/t18-,19+,20-,22+,23-,24+/m1/s1

InChIKey

YRBVLOVGZCCAQL-FIJLXMTKSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@]1(O)CC[C@@H]2C5=COC(=O)C=C5