STIGMATELLIN

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Names

[ CAS No. ]:
91682-96-1

[ Name ]:
STIGMATELLIN

[Synonym ]:
Stigmatellin A

Chemical & Physical Properties

[ Density]:
1.081g/cm3

[ Boiling Point ]:
635ºC at 760mmHg

[ Melting Point ]:
82-89ºC /Technical grade 82-90% purity/

[ Molecular Formula ]:
C₃₀H₄₂O₇

[ Molecular Weight ]:
514.65000

[ Flash Point ]:
198.1ºC

[ Exact Mass ]:
514.29300

[ PSA ]:
87.36000

[ LogP ]:
6.13760

[ Index of Refraction ]:
1.527

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GB7972000

CHEMICAL NAME :: Chromone, 5,7-dimethoxy-2-(4,6-dimethoxy-3,5,11-trimethyl-7,9,1 1-tridecatrienyl)-8-h ydroxy- 3-methyl-, (E,E,E)-

CAS REGISTRY NUMBER :: 91682-96-1

LAST UPDATED :: 199712

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C30-H42-O7

MOLECULAR WEIGHT :: 514.72

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 30 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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation test systems - not otherwise specified

TEST SYSTEM :: Yeast - Saccharomyces cerevisiae

DOSE/DURATION :: 3300 ug/L

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 37,454,1984

Safety Information

[ Hazard Codes ]:
T: Toxic;

[ Risk Phrases ]:
25

[ RIDADR ]:
UN 2811 6.1/PG 2

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1(a)

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic Acid Diethyl Ester
(2R,3S,4S,5S)-7-[8-hydroxy-5,7-dimethoxy-3-methyl-4-oxo-4H-2-chromenyl]-2,4-dimethoxy-3,5-dimethylheptanal
1-(2,3-Dihydroxy-4,6-dimethoxyphenyl)-1-propanone
3,5-Dimethoxyphenol
Gallic acid
Methyl gallate
1-[2-Hydroxy-4,6-dimethoxy-3-(1-oxopropoxy)phenyl]-1-propanone
1-[2-Hydroxy-4,6-dimethoxy-3-(MethoxyMethoxy)phenyl]-1-propanone
(4S,5S,6S,7R)-5,7-Dimethoxy-4,6-dimethyl-8-(phenylmethoxy)-1-octanol
(4S,5S,6S,7R)-5,7-Dimethoxy-4,6-dimethyl-8-(phenylmethoxy)-octanoic Acid