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Substance Name: Pseudojervine
RN: 36069-05-3
UNII: 6ZVR3FG6VQ
InChIKey: HYDDDNUKNMMWBD-VPLHBGEQSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C33-H49-N-O8

Molecular Weight

  • 587.7491
 
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Names and Synonyms

Name of Substance

  • Pseudojervine

Synonyms

  • 4-27-00-03592 (Beilstein Handbook Reference)
  • BRN 0072750
  • Jervin-3-glucoside
  • O-beta-D-Glucopyranosyljervine
  • Pseudojervin
  • Pseudojervine
  • UNII-6ZVR3FG6VQ

Systematic Names

  • Jervine, 3-beta-(D-glucopyranosyloxy)-
  • Veratraman-11-one, 17,23-epoxy-3-(beta-D-glucopyranosyloxy)-, (3-beta,23-beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 36069-05-3

FDA UNII

  • 6ZVR3FG6VQ

System Generated Number

  • 0036069053

Structure Descriptors

InChI

1S/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,22+,23+,25+,26-,27+,29-,30+,31+,32-,33-/m0/s1

InChIKey

HYDDDNUKNMMWBD-VPLHBGEQSA-N

Smiles

C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5C(=O)C4=C3C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]2C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 221, 1982.