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Substance Name: Nigrescigenin
RN: 6785-70-2
InChIKey: HHMGMLUGGZMHCB-YOZMPFPMSA-N

Note

  • Isolated from Parquetina nigrescens.

Classification Code

  • Natural Product

Molecular Formula

  • C23-H32-O7

Molecular Weight

  • 406.5156
 
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Names and Synonyms

Name of Substance

  • Nigrescigenin

Synonyms

  • 4-18-00-03414 (Beilstein Handbook Reference)
  • BRN 0059989
  • Canescegenin
  • Canescegenine
  • Sarmentosigenin A

Systematic Names

  • 5-beta-Card-20(22)-enolide, 3-beta,5,11-alpha,14-tetrahydroxy-19-oxo- (8CI)
  • Card-20(22)-enolide, 3,5,11,14-tetrahydroxy-19-oxo-, (3-beta,5-beta,11-alpha)- (9CI)
  • Nigrescigenin

Registry Numbers

CAS Registry Number

  • 6785-70-2

System Generated Number

  • 0006785702

Structure Descriptors

InChI

1S/C23H34O6/c1-20-6-3-14(24)10-22(20,27)7-4-16-19(20)17(25)11-21(2)15(5-8-23(16,21)28)13-9-18(26)29-12-13/h9,14-17,19,24-25,27-28H,3-8,10-12H2,1-2H3/t14-,15+,16+,17+,19+,20+,21+,22-,23-/m0/s1

InChIKey

HHMGMLUGGZMHCB-YOZMPFPMSA-N

Smiles

C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 229ug/kg (0.229mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.