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Substance Name: beta-Toxicarol
RN: 82-11-1
InChIKey: MTTUVGLGBORPBI-MOPGFXCFSA-N

Molecular Formula

  • C23-H22-O7

Molecular Weight

  • 410.42
 
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Names and Synonyms

Results Name

  • beta-Toxicarol

Synonym

  • beta-Toxicarol

Systematic Name

  • 10H-Bis(1)benzopyrano(3,4-b:6',7'-e)pyran-14(6H)-one, 6a,14a-dihydro-13-hydroxy-2,3-dimethoxy-10,10-dimethyl-, (6aS-cis)-

Registry Numbers

CAS Registry Number

  • 82-11-1

System Generated Number

  • 0000082111

Structure Descriptors

InChI

1S/C23H22O7/c1-23(2)6-5-11-14(30-23)9-17-20(21(11)24)22(25)19-12-7-15(26-3)16(27-4)8-13(12)28-10-18(19)29-17/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1

InChIKey

MTTUVGLGBORPBI-MOPGFXCFSA-N

Smiles

C=1C(C)(Oc2cc3c(c(c2C1)O)C(=O)[C@H]1c2c(OC[C@@H]1O3)cc(c(c2)OC)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral 300mg/kg (300mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Industrial and Engineering Chemistry. Vol. 29, Pg. 429, 1937.
rabbit LD oral > 1500mg/kg (1500mg/kg)   Industrial and Engineering Chemistry. Vol. 29, Pg. 429, 1937.
rat LD oral > 1500mg/kg (1500mg/kg)   Industrial and Engineering Chemistry. Vol. 29, Pg. 429, 1937.