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Substance Name: Pachomonoside
RN: 468-15-5
InChIKey: CFPNJUAQPQFPOD-AVBPFYDNSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C29-H40-O10

Molecular Weight

  • 548.625
 
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Names and Synonyms

Synonyms

  • 4-18-00-02586 (Beilstein Handbook Reference)
  • BRN 0073194
  • Pachomonosid
  • Pachomonosid [German]
  • Pachygenin, 3-beta-D-glucopyranoside

Systematic Name

  • Pachomonoside

Registry Numbers

CAS Registry Number

  • 468-15-5

System Generated Number

  • 0000468155

Structure Descriptors

InChI

1S/C29H40O10/c1-27-7-5-19-20(29(27,36)9-6-18(27)15-10-22(32)37-13-15)3-2-16-11-17(4-8-28(16,19)14-31)38-26-25(35)24(34)23(33)21(12-30)39-26/h2,10,14,17-21,23-26,30,33-36H,3-9,11-13H2,1H3/t17-,18?,19-,20+,21+,23+,24-,25+,26+,27+,28+,29-/m0/s1

InChIKey

CFPNJUAQPQFPOD-AVBPFYDNSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@]1(CCC2C4=CC(=O)OC4)O)CC=C5[C@@]3(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 665ug/kg (0.665mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.