| SpectraBase Spectrum ID |
78fkzz9XDNy |
| Name |
Benzeneacetonitrile, 4-(acetyloxy)-.alpha.-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosy l)oxy]-, (S)- |
| Alternate Name(s) |
4-{(S)-cyano[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]methyl}phenyl acetate
Dhurrin pentaacetate
Tetraacetyldhurrin or (S)-.alpha.-(.beta.-D-tetraacetylglucopyranosyloxy)-4-acetoxy benzeneacetonitrile |
| CAS Registry Number |
60981-45-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27NO12 |
| InChI |
InChI=1S/C24H27NO12/c1-12(26)31-11-20-21(33-14(3)28)22(34-15(4)29)23(35-16(5)30)24(37-20)36-19(10-25)17-6-8-18(9-7-17)32-13(2)27/h6-9,19-24H,11H2,1-5H3/t19-,20-,21-,22+,23-,24-/m1/s1 |
| InChIKey |
AJNGDGVXLWPISE-JHXGOWNISA-N |
| Molecular Weight |
521.475 g/mol |
| SMILES |
[C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(O[C@](C#N)(c1ccc(OC(=O)C)cc1)[H])[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-00lr-0901000000-7e4be477282f9f2198fc |
| Source of Spectrum |
K-109-3388-0 |
| Wiley ID |
1402104 |
![Benzeneacetonitrile, 4-(acetyloxy)-.alpha.-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosy l)oxy]-, (S)-](/api/spectrum/78fkzz9XDNy/structure.png?h=300&w=458 "Benzeneacetonitrile, 4-(acetyloxy)-.alpha.-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosy l)oxy]-, (S)-")
