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Substance Name: Rhodojaponin III
RN: 26342-66-5
UNII: C7FEJ7QWQE
InChIKey: VUMZHZYKXUYIHM-FZGYDYELSA-N

Note

  • From Rhododendron Molle G. Don.

Molecular Formula

  • C20-H32-O6

Molecular Weight

  • 368.4668
 
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Names and Synonyms

Name of Substance

  • Rhodojaponin III

Synonyms

  • 2beta,3beta-Epoxy-2,3,3abeta,4,4abeta,5,6,7beta,8,9,10,11alpha-dodecahydro-1,1,4beta,8beta-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalene-4,8,11,11abeta,12(1H)-pentol
  • Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, (2-beta,3-beta,6-beta,14R)-
  • Rhodojaponin III
  • UNII-C7FEJ7QWQE

Systematic Names

  • 7,9a-Methano-9aalphaH-cyclopenta(b)heptalene-4,8,11,11abeta,12(1H)-pentol, 2beta,3beta-epoxy-2,3,3abeta,4,4abeta,5,6,7beta,8,9,10,11alpha-dodecahydro-1,1,4beta,8beta-tetramethyl-
  • 7,9a-Methano-9aH-cyclopenta(b)heptalene-4,8,11,11a,12(1H)-pentol, 2,3-epoxydodecahydro-1,1,4,8-tetramethyl-, (2R,3S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-

Registry Numbers

CAS Registry Number

  • 26342-66-5

FDA UNII

  • C7FEJ7QWQE

System Generated Number

  • 0026342665

Structure Descriptors

InChI

1S/C20H32O6/c1-16(2)15-12(26-15)13-18(4,24)10-6-5-9-14(22)19(10,8-17(9,3)23)7-11(21)20(13,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,14+,15+,17-,18-,19+,20-/m1/s1

InChIKey

VUMZHZYKXUYIHM-FZGYDYELSA-N

Smiles

C[C@@]1(O)C[C@@]23C[C@@H](O)[C@@]4(O)[C@@H]([C@@H]5O[C@@H]5C4(C)C)[C@](C)(O)[C@@H]2CC[C@@H]1[C@@H]3O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 140ug/kg (0.14mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Archives of Toxicology. Vol. 44, Pg. 259, 1980.
mouse LD50 intraperitoneal 400ug/kg (0.4mg/kg)   Toxicology and Applied Pharmacology. Vol. 35, Pg. 303, 1976.