Acetonitrile, [(2S,3S,4S,6R)-3-(α-D-glucopyranosyloxy)-6-(β-D-glucopyranosyloxy)-2,4-dihydroxycyclohexylidene]-, (2Z)-

CAS Registry Number®

370068-00-1

CAS Name

Acetonitrile, [(2S,3S,4S,6R)-3-(α-D-glucopyranosyloxy)-6-(β-D-glucopyranosyloxy)-2,4-dihydroxycyclohexylidene]-, (2Z)-

Molecular Formula

C20H31NO14

Molecular Mass

509.46

Cite this Page

Acetonitrile, [(2S,3S,4S,6R)-3-(α-D-glucopyranosyloxy)-6-(β-D-glucopyranosyloxy)-2,4-dihydroxycyclohexylidene]-, (2Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=370068-00-1 (retrieved 2024-11-23) (CAS RN: 370068-00-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H31NO14/c21-2-1-6-8(32-19-16(30)14(28)12(26)9(4-22)33-19)3-7(24)18(11(6)25)35-20-17(31)15(29)13(27)10(5-23)34-20/h1,7-20,22-31H,3-5H2/b6-1+/t7-,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18-,19+,20+/m0/s1

InChIKey

InChIKey=DMPTXOBZQYLBEX-YJKHFKKASA-N

SMILES

O([C@H]1/C(=C\C#N)/[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

N#CC=C1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC1OC3OC(CO)C(O)C(O)C3O

Other Names for this Substance

  • Acetonitrile, [(2S,3S,4S,6R)-3-(α-D-glucopyranosyloxy)-6-(β-D-glucopyranosyloxy)-2,4-dihydroxycyclohexylidene]-, (2Z)-

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