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Substance Name: Acetyltanghinigenin
RN: 4642-56-2
UNII: WJV4U1O78C
InChIKey: IKIOUWIUYNOLSV-FKFPRKCISA-N

Molecular Formula

  • C25-H34-O6

Molecular Weight

  • 430.5376
 
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Names and Synonyms

Name of Substance

  • Acetyltanghinigenin

Synonyms

  • Acetyltanghinigenin
  • Card-20(22)-enolide, 3-(acetyloxy)-7,8-epoxy-14-hydroxy-, (3beta,5beta,7beta)-
  • Tanghinigenin acetate
  • Tanghinigenin acetate [MI]
  • Tanghinigenin, 3-acetate
  • UNII-WJV4U1O78C

Registry Numbers

CAS Registry Number

  • 4642-56-2

FDA UNII

  • WJV4U1O78C

System Generated Number

  • 0004642562

Structure Descriptors

InChI

1S/C25H34O6/c1-14(26)30-17-4-7-22(2)16(11-17)12-20-25(31-20)19(22)6-8-23(3)18(5-9-24(23,25)28)15-10-21(27)29-13-15/h10,16-20,28H,4-9,11-13H2,1-3H3/t16-,17-,18+,19+,20-,22-,23+,24+,25+/m0/s1

InChIKey

IKIOUWIUYNOLSV-FKFPRKCISA-N

Smiles

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@]35[C@@H](O5)C[C@@H]2C1)O)C6=CC(=O)OC6)C)C