Prunasin
CAS Registry Number®
99-18-3
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CAS Name
PrunasinMolecular Formula
C14H17NO6Molecular Mass
295.29Cite this Page
Prunasin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=99-18-3 (retrieved ) (CAS RN: 99-18-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
148 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1
InChIKey
InChIKey=ZKSZEJFBGODIJW-GMDXDWKASA-N
SMILES
O([C@@H](C#N)C1=CC=CC=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
Canonical SMILES
N#CC(OC1OC(CO)C(O)C(O)C1O)C=2C=CC=CC2
Other Names for this Substance
- Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-, (αR)-
- Prunasin
- Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-, (R)-
- (αR)-α-(β-D-Glucopyranosyloxy)benzeneacetonitrile
- D-Prunasin
Deleted or Replaced CAS Registry Numbers
1300-20-5
