Catalog Number
ACM29883156
Category
Material of cosmetics
Description
relieving cough, relieving asthma, anti-inflammatory, relieve pain
Synonyms
Mandelonitrile-beta-gentiobioside
IUPAC Name
(2R)-2-Phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
Molecular Formula
C20H27NO11
Canonical SMILES
C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
InChI
InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1
InChI Key
XUCIJNAGGSZNQT-JHSLDZJXSA-N
Appearance
White to off-white powder
Storage
Sealed in dry, room temperature
Effective Constituent
amygdalin
Isomeric SMILES
C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
Monoisotopic Mass
457.15841068
Plant Origin
nut of semen armeniacae amarae
Refractive Index
-40 ° (C=2, H₂O)
Topological Polar Surface Area
202 Ų