Deoxy-11,12-Didehydroandrographolide, 14-(P)

Analyte Name

14-Deoxy-11,12-Didehydroandrographolide

CAS Number

42895-58-9

Molecular Formula

C20 H28 O4

Molecular Weight

332.43

Accurate Mass

332.1988

Melting Point

196-198

Appearance/Form

Solid

Color

White

Odor

Odourless

SMILES

C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2\C=C\C3=CCOC3=O

InChI

InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1

IUPAC

4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one

Storage Temperature

Room Temperature

Shipping Temperature

Room Temperature

Country of Origin

UNITED STATES

Product Format

Neat