Analyte Name

(-)-Ascofuranone

CAS Number

38462-04-3

Molecular Formula

C23 H29 Cl O5

Molecular Weight

420.926

Accurate Mass

420.17

SMILES

C\C(=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O)\CC\C=C(/C)\[C@@H]2CC(=O)C(C)(C)O2

InChI

InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-/m0/s1

IUPAC

5-chloro-3-[(2E,6E)-7-[(2S)-5,5-dimethyl-4-oxooxolan-2-yl]-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat