Ajulemic acid, CAS No. 137945-48-3

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Ajulemic acid CAS No.137945-48-3 / Cat No.EBD45038

Formula: C25H36O4

Molecular Weight:400.55

Synonyms:

(6aR,10aR)-1-Hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid

Ajulemic acid

6H-Dibenzo(b,d)pyran-9-carboxylic acid, 3-(1,1-dimethylheptyl)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6aR,10aR)

(6aR,10aR)-3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-9-carboxylic acid

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Properties
NMR Spectrum

Properties

Density:

1.085 g/cm3
Boiling point:

495.7 °C at 760 mmHg
Flashing point:

158.5 °C
Vapour pressure:

1.2E-10mmHg at 25°C

NMR Spectrum

Prediction： 1H NMR (CDCl3) Delta 3.82 (1 H, br d, J=18 Hz, C-2 eq H), 6.22 (1 H, d, J=18 Hz, C-2 eq H), 6.22 (1 H, d, J=1.5 Hz, arom), 6.38 (1 H, d, J=1.5 Hz, arom), 7.16 (1 H, m, C-6, H)

¹H NMR

¹³C NMR