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Substance Name: Pennogenin tetraglycoside
RN: 67527-02-0
InChIKey: FBFJAXUYHGSVFN-WGOKCJDNSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C48-H75-O24

Molecular Weight

  • 1031.1878
 
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Names and Synonyms

Results Name

  • Pennogenin tetraglycoside

Synonym

  • Pennogenin tetraglycoside

Systematic Name

  • Spirost-5-en-17-ol, 3-beta-((O-alpha-L-rhamnopyranosyl-(1-4)-O-L-rhamnopyranosyl-(1-4)-O-alpha-L-rhamnopyranosyl-(1-2)-O-beta-D-glucopyranosyl)oxy)-

Registry Numbers

CAS Registry Number

  • 67527-02-0

System Generated Number

  • 0067527020

Structure Descriptors

InChI

1S/C51H82O21/c1-20-10-15-50(63-19-20)24(5)51(62)31(72-50)17-29-27-9-8-25-16-26(11-13-48(25,6)28(27)12-14-49(29,51)7)67-47-43(71-45-38(59)35(56)33(54)22(3)65-45)40(61)42(30(18-52)68-47)70-46-39(60)36(57)41(23(4)66-46)69-44-37(58)34(55)32(53)21(2)64-44/h8,20-24,26-47,52-62H,9-19H2,1-7H3/t20-,21+,22+,23+,24-,26?,27-,28-,29+,30-,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51-/m1/s1

InChIKey

FBFJAXUYHGSVFN-WGOKCJDNSA-N

Smiles

C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6CC(CC[C@]6(C)[C@@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Yakugaku Zasshi. Journal of Pharmacy. Vol. 102, Pg. 495, 1982.