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21800-49-7

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Basic Information
CAS No.: 21800-49-7
Name: 3-[(1S,2S,6S)-6-ISOPROPENYL-1,3-DIMETHYL-2-(2-OXO-2H-CHROMEN-7-YLOXYMETHYL)-CYCLOHEX-3-ENYL]-PROPIONIC ACID
Article Data: 1
Molecular Structure:
Molecular Structure of 21800-49-7 (3-[(1S,2S,6S)-6-ISOPROPENYL-1,3-DIMETHYL-2-(2-OXO-2H-CHROMEN-7-YLOXYMETHYL)-CYCLOHEX-3-ENYL]-PROPIONIC ACID)
Formula: C24H28O5
Molecular Weight: 396.483
Synonyms: KARATAVIC ACID;
Density: 1.19g/cm3
Boiling Point: 586.1°Cat760mmHg
Flash Point: 199.6°C
Hazard Symbols: A poison.
Safety: A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 76.74000
LogP: 5.20140
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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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  • (+-)-Karatavic acid

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    (+-)-Karatavic acid

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    We are a team of industry experts, dedicated to delivering the best chemical solutions from quality suppliers across China. Putting our customers first, we take a holistic approach

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Chemistry

Empirical Formula of (+-)-Karatavic acid (CAS NO.21800-49-7): C24H28O5
Molecular Weight: 396.4761 
Index of Refraction: 1.58
Density: 1.19 g/cm3
Flash Point: 199.6 °C
Enthalpy of Vaporization: 92.07 kJ/mol
Boiling Point: 586.1 °C at 760 mmHg
Vapour Pressure: 1.4E-14 mmHg at 25 °C
Structure of (+-)-Karatavic acid (CAS NO.21800-49-7):
                      
IUPAC Name: (5Z)-1,5-Dimethyl-9-methylidene-2-(2-oxochromen-7-yl)oxycycloundec-5-ene-1-carboxylic acid
Canonical SMILES: CC1=CCCC(=C)CCC(C(CC1)OC2=CC3=C(C=C2)C=CC(=O)O3)(C)C(=O)O
Isomeric SMILES: C/C/1=C/CCC(=C)CCC(C(CC1)OC2=CC3=C(C=C2)C=CC(=O)O3)(C)C(=O)O
InChI: InChI=1S/C24H28O5/c1-16-5-4-6-17(2)13-14-24(3,23(26)27)21(11-7-16)28-19-10-8-18-9-12-22(25)29-20(18)15-19/h5,8-10,12,15,21H,2,4,6-7,11,13-14H2,1,3H3,(H,26,27)/b16-5-
InChIKey: WNKJSJGQYFLQJT-BNCCVWRVSA-N

Toxicity Data With Reference

1.    

ipr-mus LD50:204 mg/kg

    RRESA8    Rastitel’nye Resursy. Plant Resources. 12 (1976),259.

Safety Profile

A poison by intraperitoneal route. When heated to decomposition (+-)-Karatavic acid (CAS NO.21800-49-7) emits acrid smoke and irritating vapors.

Specification

 (+-)-Karatavic acid , its cas register number is 21800-49-7. It also can be called Karatavic acid (7CI) ; 1,3-Dimethyl-6-(1-methylethenyl)-2-(((2-oxo-2H-1-benzopyran-7-yl)oxy)methyl)-3-cyclohexene-1-propanoic acid ; Caratavinkovic acid ; and 5-Cycloundecene-1-carboxylic acid, 1,5-dimethyl-9-methylene-2-((2-oxo-2H-1-benzopyran-7-yl)oxy)- .