Chlorouvedalin

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5596

CAS

24694-80-2

Product Name

Chlorouvedalin

Structure

Product Details

Description

Chlorouvedalin is a natural sesquiterpenoid found in the herbs of Smallanthus sonchifolius.

Synonyms

1-Octen-4-yne

IUPAC Name

methyl (3aS,4S,5S,6E,10Z,11aR)-5-acetyloxy-4-(3-chloro-2-hydroxy-2-methylbutanoyl)oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

Molecular Weight

484.93

Molecular Formula

C23H29ClO9

Canonical SMILES

CC1=CC2C(C(C(C(=CCC1)C(=O)OC)OC(=O)C)OC(=O)C(C)(C(C)Cl)O)C(=C)C(=O)O2

InChI

InChI=1S/C23H29ClO9/c1-11-8-7-9-15(21(27)30-6)18(31-14(4)25)19(33-22(28)23(5,29)13(3)24)17-12(2)20(26)32-16(17)10-11/h9-10,13,16-19,29H,2,7-8H2,1,3-6H3/b11-10-,15-9+/t13?,16-,17+,18+,19+,23?/m1/s1

InChIKey

BQXRLMULBZGQJI-VXIIXAFOSA-N

Boiling Point

635.1±55.0 °C(Predicted)

Purity

>95%

Density

1.29±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

13.33±0.20(Predicted)