Neolinustatin

CAS Registry Number®

72229-42-6
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CAS Name

Neolinustatin

Molecular Formula

C17H29NO11

Molecular Mass

423.41

Cite this Page

Neolinustatin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=72229-42-6 (retrieved 2024-05-06) (CAS RN: 72229-42-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H29NO11/c1-3-17(2,6-18)29-16-14(25)12(23)10(21)8(28-16)5-26-15-13(24)11(22)9(20)7(4-19)27-15/h7-16,19-25H,3-5H2,1-2H3/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16+,17-/m1/s1

InChIKey

InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N

SMILES

O([C@](CC)(C#N)C)[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

Canonical SMILES

N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)(C)CC

Other Names for this Substance

  • Butanenitrile, 2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-methyl-, (2R)-
  • Butanenitrile, 2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-methyl-, (R)-
  • (2R)-2-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2-methylbutanenitrile
  • Neolinustatin

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