Methyl dodonate A

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For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1718

CAS

349534-70-9

Product Name

Methyl dodonate A

Structure

Product Details

Description

Methyl dodonate A is a natural diterpenoid found in the herbs of Dodonaea viscosa.

Synonyms

Methyl dodonate A

IUPAC Name

methyl (1aS,4S,4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-4-hydroxy-5,6-dimethyl-1,4,4a,6,7,8-hexahydrocyclopropa[j]naphthalene-1a-carboxylate

Molecular Weight

344.45

Molecular Formula

C21H28O4

Canonical SMILES

CC1CCC23CC2(C=CC(C3C1(C)CCC4=COC=C4)O)C(=O)OC

InChI

InChI=1S/C21H28O4/c1-14-4-9-20-13-21(20,18(23)24-3)10-6-16(22)17(20)19(14,2)8-5-15-7-11-25-12-15/h6-7,10-12,14,16-17,22H,4-5,8-9,13H2,1-3H3/t14-,16+,17-,19+,20+,21+/m1/s1

InChIKey

SMHNYOMQXSRPAD-OWHLRFHBSA-N

Boiling Point

441.0±45.0 °C(Predicted)

Purity

>95%

Density

1.18±0.1 g/cm3(Predicted)

Appearance

Powder

Form

Powder

pKa

14.10±0.70(Predicted)

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