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Substance Name: Rhodojaponin I
RN: 26116-88-1
UNII: 63HXC64W16
InChIKey: BQXZYRJBFJGDSL-PLZLAMROSA-N

Molecular Formula

  • C24-H36-O8

Molecular Weight

  • 452.5404
 
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Names and Synonyms

Results Name

  • Rhodojaponin I

Name of Substance

  • Rhodojaponin I

Synonyms

  • Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 6,14-diacetate, (2-beta,3-beta,6-beta,14R)-
  • Rhodojaponin I
  • Rhodojaponin III 9,11-diacetate
  • UNII-63HXC64W16

Systematic Name

  • 7,9a-Methano-9aH-cyclopenta(b)heptalene-4,8,11,11a,12(1H)-pentol, 2,3-epoxydodecahydro-1,1,4,8-tetramethyl-, 11,12-diacetate, (2R,3S,3as,4R,7R,8R,9as,11R,11aR,12R)-

Registry Numbers

CAS Registry Number

  • 26116-88-1

FDA UNII

  • 63HXC64W16

System Generated Number

  • 0026116881

Structure Descriptors

InChI

1S/C24H36O8/c1-11(25)30-15-9-23-10-21(5,27)13(18(23)31-12(2)26)7-8-14(23)22(6,28)17-16-19(32-16)20(3,4)24(15,17)29/h13-19,27-29H,7-10H2,1-6H3/t13-,14+,15-,16+,17+,18-,19+,21-,22-,23+,24-/m1/s1

InChIKey

BQXZYRJBFJGDSL-PLZLAMROSA-N

Smiles

CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@@](C)(O)[C@@H]4[C@@H]5O[C@@H]5C(C)(C)[C@@]14O)[C@H]3OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 3100ug/kg (3.1mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives of Toxicology. Vol. 44, Pg. 259, 1980.