14-Deoxy-11,12-didehydroandrographolide bis(hemisuccinate)

Catalog	BBC786593064
CAS	786593-06-4
Structure
Synonyms	Dehydroandrographolide Succinat
IUPAC Name	4-[[(1R,2R,4aR,5R,8aS)-2-(3-carboxypropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(E)-2-(5-oxo-2H-furan-4-yl)ethenyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid
Molecular Weight	532.58
Molecular Formula	C28H36O10
Canonical SMILES	C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)COC(=O)CCC(=O)O)OC(=O)CCC(=O)O
InChI	InChI=1S/C28H36O10/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30/h5-6,13,19-21H,1,4,7-12,14-16H2,2-3H3,(H,29,30)(H,31,32)/b6-5+/t19-,20+,21-,27+,28+/m1/s1
InChI Key	YTHKMAIVPFVDNU-GPTWTFMPSA-N
Boiling Point	733.8±60.0 °C
Melting Point	136-138 °C
Purity	98%
Density	1.29 g/ml
Appearance	Powder
pKa	4.41±0.17