(+-)-Karatavic acid (21800-49-7),(+-)-Karatavic acid (21800-49-7) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
KARATAVIC ACID
CAS No.:
21800-49-7
Molecular Structure:
Formula:
C₂₄H₂₈O₅
Molecular Weight:
396.52
Density:
1.19g/cm³
Boiling Point:
586.1°Cat760mmHg
Flash Point:
199.6°C
Hazard Symbols:
A poison.
Safety Description:
A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors. Details

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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

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)- .