Cimicifugic acid E

(2R,3S)-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid

Also Known As: Cimicifugic acid E|2-E-Feruloylpiscidic acid|2-Feruloylpiscidic acid|2-feruloyl piscidic acid|CIMICIFUGIC ACID E, (+)-|J1.031.275B|(2R,3S)-2-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid|Butanedioic acid, 2-hydroxy-3-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-2-((4-hydroxyphenyl)methyl)-, (2R,3S)-|BUTANEDIOIC ACID, 2-HYDROXY-3-(((2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)OXY)-2-((4-HYDROXYPHENYL)METHYL)-, (2R,3S)-|(2R,3S)-2-[(4-Hydroxyphenyl)methyl]-3-[[(E)-3-(3-methoxy-4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxybutanedioic acid|(2R,3S)-2-Hydroxy-2-(4-hydroxybenzyl)-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)propenoyl]oxy]butanedioic acid|(2R,3S)-2-HYDROXY-3-{[(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-ENOYL]OXY}-2-[(4-HYDROXYPHENYL)METHYL]BUTANEDIOIC ACID|(2S,3R)-3-Hydroxy-3-(4-hydroxybenzyl)-2-[(4-hydroxy-3-methoxy-trans-cinnamoyl)oxy]butanedioic acid

Molecular Formula	C21H20O10
Molecular Weight	432.10565 g/mol
LogP	1.1744
Topological Polar Surface Area	170.82 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	432.10565
Monoisotopic Mass	432.10565
Heavy Atoms	31
Complexity	995.7201

Chemical Identifiers

CAS Number	219986-67-1
SMILES	COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H](C(=O)O)[C@](CC2=CC=C(C=C2)O)(C(=O)O)O)O