Helenalin

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Names

[ CAS No. ]:
6754-13-8

[ Name ]:
Helenalin

[Synonym ]:
dl-Mexicanin I
Helenalin A
HELENALIN
PF 56
(3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
473ºC at 760 mmHg

[ Melting Point ]:
167-168ºC

[ Molecular Formula ]:
C15H18O4

[ Molecular Weight ]:
262.30100

[ Flash Point ]:
179.9ºC

[ Exact Mass ]:
262.12100

[ PSA ]:
63.60000

[ LogP ]:
1.24630

[ Index of Refraction ]:
1.565

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BD9630000
CHEMICAL NAME :
Ambrosa-2,11(13)-dien-12-oic acid, 6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone
CAS REGISTRY NUMBER :
6754-13-8
BEILSTEIN REFERENCE NO. :
0028081
LAST UPDATED :
199712
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C15-H18-O4
MOLECULAR WEIGHT :
262.33
WISWESSER LINE NOTATION :
T C575 DYVO MV KUTJ A1 BQ DU1 I1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
125 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - food intake (animal) Gastrointestinal - peritonitis
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
85 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - domestic
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
45 mg/kg/3D-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in spleen weight Endocrine - changes in thymus weight
TYPE OF TEST :
DNA inhibition

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
780 ppb
REFERENCE :
BSECBU Biochemical Systematics and Ecology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.2- 1974- Volume(issue)/page/year: 13,365,1985

Safety Information

[ RIDADR ]:
UN 2811

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

Related Compounds

  • Helenalin
  • acetylhelenalin
  • helenalin methacrylate
  • 6-acetoxy-8-epi-helenalin
  • 2a-methoxy-tetrahydro-acetyl-helenalin
  • N-[(2E)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-[(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-yl)oxy]acetamide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-phenylacetamide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine