Schisantherin A

Catalog	BBC58546568
CAS	58546-56-8
Structure
Synonyms	Gomisin C
IUPAC Name	[(8S,9S,10S)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate
Molecular Weight	536.57
Molecular Formula	C30H32O9
Canonical SMILES	C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@@]1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3
InChI	InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1
InChI Key	UFCGDBKFOKKVAC-DSASHONVSA-N
Boiling Point	675.6±55.0 °C
Melting Point	110-112 °C
Purity	98%
Density	1.33±0.1 g/ml
Appearance	Powder
pKa	13.70±0.60