DEMETHYLSIMMONDSIN-2'-FERULATE, 4-(P)

Modify Date: 2025-10-15 13:13:25

DEMETHYLSIMMONDSIN-2'-FERULATE, 4-(P) Structure
DEMETHYLSIMMONDSIN-2'-FERULATE, 4-(P) structure
 Common Name DEMETHYLSIMMONDSIN-2'-FERULATE, 4-(P)
CAS Number 162290-39-3 Molecular Weight 537.513
Density 1.5±0.1 g/cm3 Boiling Point 801.4±65.0 °C at 760 mmHg
Molecular Formula C25H31NO12 Melting Point N/A
MSDS N/A Flash Point 438.5±34.3 °C

 Names

Name 4-Demethylsimmondsin 2′-trans-ferulate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 801.4±65.0 °C at 760 mmHg
Molecular Formula C25H31NO12
Molecular Weight 537.513
Flash Point 438.5±34.3 °C
Exact Mass 537.184631
LogP 0.82
Vapour Pressure 0.0±3.0 mmHg at 25°C
Index of Refraction 1.634

 Synonyms

(2Z)-[(2S,3R,4S,6R)-2,3-Dihydroxy-6-({2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-4-methoxycyclohexylidene]acetonitrile
4-Demethylsimmondsin 2′-trans-ferulate
Acetonitrile, 2-[(2S,3R,4S,6R)-2,3-dihydroxy-6-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4-methoxycyclohexylidene]-, (2Z)-
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