Hedyotisol A

CAS	95732-59-5
Synonyms	1,3-Propanediol, 2,2-[[(1R,3aS,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[(2,6-dimethoxy-4,1-phenylene)oxy]]bis[1-(4-hydroxy-3-methoxyphenyl)-, (1S,1S,2S,2S)-
IUPAC Name	(1S,2S)-2-[4-[(3R,3aS,6R,6aS)-6-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Molecular Weight	810.9
Molecular Formula	C42H50O16
Canonical SMILES	COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC(CO)C(C6=CC(=C(C=C6)O)OC)O)OC
InChI	InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1
InChI Key	LSWNERGQFCAXLI-RJFHMDDPSA-N
Purity	98%
Density	1.346±0.06 g/ml
pKa	9.59±0.31
Appearance	Powder