Home > Product Catalog > All > 2-Propenoic acid, 3-phenyl-, (1S,2R,3S,5R,6E)-3-(benzoyloxy)-6-(cyanomethylene)-5-(β-D-glucopyranosyloxy)-2-hydroxycyclohexyl ester, (2E)- (9CI)

2-Propenoic acid, 3-phenyl-, (1S,2R,3S,5R,6E)-3-(benzoyloxy)-6-(cyanomethylene)-5-(β-D-glucopyranosyloxy)-2-hydroxycyclohexyl ester, (2E)- (9CI)

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Catalog No. : NC23968

CAS No. : 151171-83-4

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Molecular Formula : C₃₀H₃₁NO₁₁

Chemical Name : 2-Propenoic acid, 3-phenyl-, (1S,2R,3S,5R,6E)-3-(benzoyloxy)-6-(cyanomethylene)-5-(β-D-glucopyranosyloxy)-2-hydroxycyclohexyl ester, (2E)- (9CI)

Molecular Weight : 581.57

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Standard English name
Cas No.	151171-83-4
Alias	2-Propenoic acid, 3-phenyl-, (1S,2R,3S,5R,6E)-3-(benzoyloxy)-6-(cyanomethylene)-5-(β-D-glucopyranosyloxy)-2-hydroxycyclohexyl ester, (2E)- (9CI)
Canonical Smiles	N#CC=C1C(CC(OC(=O)C2C=CC=CC=2)C(O)C1OC(=O)C=CC1C=CC=CC=1)OC1OC(CO)C(O)C(O)C1O
MDL No.
Exact Mass	581.18971
Smiles	N#CC=C1C(OC2OC(CO)C(O)C(O)C2O)CC(OC(=O)C=3C=CC=CC3)C(O)C1OC(=O)C=CC=4C=CC=CC4

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Inchi	InChI=1S/C30H31NO11/c31-14-13-19-20(40-30-27(37)26(36)24(34)22(16-32)41-30)15-21(39-29(38)18-9-5-2-6-10-18)25(35)28(19)42-23(33)12-11-17-7-3-1-4-8-17/h1-13,20-22,24-28,30,32,34-37H,15-16H2
InchiKey	IGNLFRDPRQBHRJ-UHFFFAOYSA-N
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