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Substance Name: Deacetylsolaphyllidine
RN: 26520-60-5
InChIKey: PTLHVDMORFDUBF-BPKDJAQKSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C27-H45-N-O4

Molecular Weight

  • 447.655
 
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Names and Synonyms

Results Name

  • Deacetylsolaphyllidine

Synonyms

  • 16,28-Secosolanidan-4-one, 3,16,23-trihydroxy-, (3beta,5alpha,16alpha,22alpha,23beta,25beta)
  • Deacetylsolaphyllidine
  • Desacetylsolaphyllidine

Systematic Name

  • 5-alpha-Pregnan-4-one, 3-beta,16-alpha-dihydroxy-20-alpha-((2R,3S,5R)-3-hydroxy-5-methyl-2-piperidyl)-

Registry Numbers

CAS Registry Number

  • 26520-60-5

System Generated Number

  • 0026520605

Structure Descriptors

InChI

1S/C27H45NO4/c1-14-11-22(31)24(28-13-14)15(2)23-21(30)12-19-16-5-6-18-25(32)20(29)8-10-26(18,3)17(16)7-9-27(19,23)4/h14-24,28-31H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21-,22+,23+,24+,26-,27+/m1/s1

InChIKey

PTLHVDMORFDUBF-BPKDJAQKSA-N

Smiles

C1[C@@H](C([C@@H]2CC[C@H]3[C@@H]4C[C@H]([C@@H]([C@@H]([C@H]5[C@H](C[C@H](CN5)C)O)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12mg/kg (12mg/kg)   Fitoterapia. Vol. 61, Pg. 127, 1990.