11,12-Didehydro-14-deoxyandrographolide

Catalog	BBC42895589
CAS	42895-58-9
Structure
Synonyms	14-Deoxy-11,14-didehydroandrographolide
IUPAC Name	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
Molecular Weight	332.43
Molecular Formula	C20H28O4
Canonical SMILES	C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)CO)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
InChI Key	XMJAJFVLHDIEHF-CRBRZBHVSA-N
Boiling Point	519.6±50.0 °C
Melting Point	204-205 °C
Purity	98%
Density	1.17 g/ml
Appearance	Solid
pKa	14.80±0.70