Home > Product Catalog > All > Acetonitrile, [(2S,3S,4S,6R)-2,4-dihydroxy-6-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-3-methoxycyclohexylidene]-, (2Z)- (9CI)

Acetonitrile, [(2S,3S,4S,6R)-2,4-dihydroxy-6-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-3-methoxycyclohexylidene]-, (2Z)- (9CI)

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Catalog No. : NC24361

CAS No. : 162290-38-2

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Molecular Formula : C₂₅H₃₁NO₁₂

Chemical Name : Acetonitrile, [(2S,3S,4S,6R)-2,4-dihydroxy-6-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-3-methoxycyclohexylidene]-, (2Z)- (9CI)

Molecular Weight : 537.51

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Basic information

Standard English name
Cas No.	162290-38-2
Alias	Acetonitrile, [(2S,3S,4S,6R)-2,4-dihydroxy-6-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-3-methoxycyclohexylidene]-, (2Z)- (9CI)
Canonical Smiles	COC1=CC(=CC=C1O)C=CC(=O)OC1C(OC2CC(O)C(OC)C(O)C2=CC#N)OC(CO)C(O)C1O
MDL No.
Exact Mass	537.18463
Smiles	N#CC=C1C(O)C(OC)C(O)CC1OC2OC(CO)C(O)C(O)C2OC(=O)C=CC3=CC=C(O)C(OC)=C3

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Inchi	InChI=1S/C25H31NO12/c1-34-17-9-12(3-5-14(17)28)4-6-19(30)38-24-22(33)21(32)18(11-27)37-25(24)36-16-10-15(29)23(35-2)20(31)13(16)7-8-26/h3-7,9,15-16,18,20-25,27-29,31-33H,10-11H2,1-2H3
InchiKey	KZBHGKPXLHDZDW-UHFFFAOYSA-N
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