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(2S)-phenyl[(6-O-{4-O-[(2E)-3-{4-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]phenyl}prop-2-enoyl]-beta-D-xylopyranosyl}-beta-D-glucopyranosyl)oxy]ethanenitrile (89354-48-3)

Identification
Name:(2S)-phenyl[(6-O-{4-O-[(2E)-3-{4-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]phenyl}prop-2-enoyl]-beta-D-xylopyranosyl}-beta-D-glucopyranosyl)oxy]ethanenitrile
Synonyms:AC1NUT7Z;CHEBI:2747;[(3R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxyoxan-3-yl] (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoate;phenyl[6-O-(4-O-{(2E)-3-[4-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)phenyl]prop-2-enoyl}-beta-D-xylopyranosyl)-beta-D-glucopyranosyloxy]acetonitrile
CAS:89354-48-3
Molecular Formula: C39H49NO21
Molecular Weight: 867.8005
InChI: InChI=1/C39H49NO21/c40-12-21(18-4-2-1-3-5-18)59-39-35(52)31(48)28(45)24(61-39)16-56-37-33(50)29(46)22(14-54-37)58-25(42)11-8-17-6-9-19(10-7-17)57-38-34(51)30(47)27(44)23(60-38)15-55-36-32(49)26(43)20(41)13-53-36/h1-11,20-24,26-39,41,43-52H,13-16H2/b11-8+/t20-,21-,22-,23-,24-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37+,38-,39-/m1/s1
Molecular Structure: (C39H49NO21) AC1NUT7Z;CHEBI:2747;[(3R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[cyano(phenyl)methoxy]-3,4,5-trihydroxyoxa...
Properties
Flash Point: 626.2°C
Boiling Point: 1111.9°C at 760 mmHg
Density:1.64g/cm3
Refractive index:1.682
Flash Point: 626.2°C
Safety Data
 

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