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Substance Name: Daturalactone
RN: 41093-93-0
InChIKey: KXUFVTCHWYNDEX-WKWBEGMHSA-N

Classification Codes

  • Natural Product
  • Reproductive Effect

Molecular Formula

  • C28-H38-O7

Molecular Weight

  • 486.6012
 
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Names and Synonyms

Results Name

  • Daturalactone

Synonyms

  • BRN 5671470
  • Daturalactone
  • Daturalactone 1
  • DQ1
  • NSC 285115

Systematic Name

  • Ergosta-2,24-dien-26-oic acid, 6,7-epoxy-5,12,17-22-tetrahydroxy-1-oxo-, delta-lactone, (5-alpha,6-alpha,7-alpha,12-alpha,22S)-

Registry Numbers

CAS Registry Number

  • 41093-93-0

Other Registry Number

  • 72055-73-3

System Generated Number

  • 0041093930

Structure Descriptors

InChI

1S/C28H38O7/c1-14(18(29)13-25(3)27(5,35-25)23(31)32)15-8-9-16-20-17(12-19(30)26(15,16)4)24(2)10-6-7-11-28(24,33)22-21(20)34-22/h6-7,10-12,14-18,20-22,29-30,33H,8-9,13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18+,20-,21+,22+,24+,25-,26+,27+,28-/m0/s1

InChIKey

KXUFVTCHWYNDEX-WKWBEGMHSA-N

Smiles

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(C(=C[C@H]3[C@H]2[C@@H]4[C@@H](O4)[C@@]5([C@@]3(C=CC=C5)C)O)O)C)[C@@H](C[C@]6([C@@](O6)(C)C(=O)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Experimental Biology. Vol. 16, Pg. 419, 1978.
mouse LD oral > 1gm/kg (1000mg/kg)   Indian Journal of Experimental Biology. Vol. 16, Pg. 419, 1978.
rat LD intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Experimental Biology. Vol. 16, Pg. 419, 1978.
rat LD oral > 1gm/kg (1000mg/kg)   Indian Journal of Experimental Biology. Vol. 16, Pg. 419, 1978.