Home > Product Catalog > All > Acetonitrile, [(2S,3R,4S,6R)-3,4-bis(benzoyloxy)-6-(β-D-glucopyranosyloxy)-2-hydroxycyclohexylidene]-, (2Z)- (9CI)

Acetonitrile, [(2S,3R,4S,6R)-3,4-bis(benzoyloxy)-6-(β-D-glucopyranosyloxy)-2-hydroxycyclohexylidene]-, (2Z)- (9CI)

Catalog No. : NC23965

CAS No. : 151171-80-1

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Molecular Formula : C₂₈H₂₉NO₁₁

Chemical Name : Acetonitrile, [(2S,3R,4S,6R)-3,4-bis(benzoyloxy)-6-(β-D-glucopyranosyloxy)-2-hydroxycyclohexylidene]-, (2Z)- (9CI)

Molecular Weight : 555.53

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Basic information

Standard English name
Cas No.	151171-80-1
Alias	Acetonitrile, [(2S,3R,4S,6R)-3,4-bis(benzoyloxy)-6-(β-D-glucopyranosyloxy)-2-hydroxycyclohexylidene]-, (2Z)- (9CI)
Canonical Smiles	N#CC=C1C(CC(OC(=O)C2C=CC=CC=2)C(OC(=O)C2C=CC=CC=2)C1O)OC1OC(CO)C(O)C(O)C1O
MDL No.
Exact Mass	555.17406
Smiles	N#CC=C1C(O)C(OC(=O)C=2C=CC=CC2)C(OC(=O)C=3C=CC=CC3)CC1OC4OC(CO)C(O)C(O)C4O

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Inchi	InChI=1S/C28H29NO11/c29-12-11-17-18(38-28-24(34)23(33)22(32)20(14-30)39-28)13-19(37-26(35)15-7-3-1-4-8-15)25(21(17)31)40-27(36)16-9-5-2-6-10-16/h1-11,18-25,28,30-34H,13-14H2
InchiKey	FOFLZICYUVKVEU-UHFFFAOYSA-N
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