Demethylcarolignan E

CAS	873694-46-3
Synonyms	Carolignan M
IUPAC Name	3-[3-hydroxy-4-[(1S,2S)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxyphenyl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Weight	716.73
Molecular Formula	C39H40O13
Canonical SMILES	COC1=C(C=CC(=C1)C=CC(=O)OCCCC2=CC(=C(C=C2)OC(COC(=O)C=CC3=CC(=C(C=C3)O)OC)C(C4=CC(=C(C=C4)O)OC)O)O)O
InChI	InChI=1S/C39H40O13/c1-47-33-20-25(6-12-28(33)40)9-16-37(44)50-18-4-5-24-8-15-32(31(43)19-24)52-36(39(46)27-11-14-30(42)35(22-27)49-3)23-51-38(45)17-10-26-7-13-29(41)34(21-26)48-2/h6-17,19-22,36,39-43,46H,4-5,18,23H2,1-3H3/b16-9+,17-10+/t36-,39-/m0/s1
InChI Key	GSGRJWMOIKUHLN-DZOJLRKVSA-N
Purity	98%
Appearance	Powder