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Substance Name: Solaphyllidine
RN: 26520-58-1
InChIKey: KOJVZJIMHQWOHG-ISWQCNFUSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C29-H47-N-O5

Molecular Weight

  • 489.692
 
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Names and Synonyms

Results Name

  • Solaphyllidine

Synonyms

  • 16-(Acetyloxy)-3-hydroxy-20-((2R,3S,5R)-3-hydroxy-5-methyl-2-piperidyl)pregna-4-one (3beta,5alpha,16alpha,20S)-
  • Solafilidine
  • Solaphyllidin
  • Solaphyllidine

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 26520-58-1

System Generated Number

  • 0026520581

Structure Descriptors

InChI

1S/C29H47NO5/c1-15-12-23(33)26(30-14-15)16(2)25-24(35-17(3)31)13-21-18-6-7-20-27(34)22(32)9-11-28(20,4)19(18)8-10-29(21,25)5/h15-16,18-26,30,32-33H,6-14H2,1-5H3/t15-,16+,18-,19+,20+,21+,22+,23+,24-,25+,26-,28-,29+/m1/s1

InChIKey

KOJVZJIMHQWOHG-ISWQCNFUSA-N

Smiles

C1C[C@@]2([C@H]3CC[C@@]4([C@H]([C@@H](C[C@@H]4[C@@H]3CC[C@H]2C([C@H]1O)=O)OC(=O)C)[C@H](C)[C@H]1NC[C@@H](C[C@@H]1O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 14500ug/kg (14.5mg/kg)   Fitoterapia. Vol. 61, Pg. 127, 1990.