99-18-3
中文名稱
野黑櫻苷
英文名稱
PRUNASIN
CAS
99-18-3
分子式
C14H17NO6
分子量
295.29
MOL 文件
99-18-3.mol
更新日期
2026/07/20 17:39:55
99-18-3 結(jié)構(gòu)式
基本信息
中文別名
野櫻苷野黑櫻苷
英文別名
PrunacinPRUNASIN
d-prunasin
(r)-prunasin
Noguro Sakura
(r)-benzeneacetonitril
D-MANDELONITRILE B-D-GLUCOSIDE
D-Mandelonitrile β-D-glucoside
D-MANDELONITRILE-BETA-D-GLUCOSIDE
[(αR)-α-Cyanobenzyl]β-D-glucopyranoside
所屬類別
天然產(chǎn)物：酚類物理化學(xué)性質(zhì)
熔點(diǎn)138-148°C
沸點(diǎn)527.0±50.0 °C(Predicted)
密度1.45±0.1 g/cm3(Predicted)
儲(chǔ)存條件Hygroscopic, -20°C Freezer, Under Inert Atmosphere
溶解度Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
酸度系數(shù)(pKa)12.71±0.70(Predicted)
形態(tài)粉末
顏色White to off-white
穩(wěn)定性吸濕性
主要應(yīng)用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
化妝品成分功效SKIN CONDITIONING
InChIInChI=1/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+/s3
InChIKeyZKSZEJFBGODIJW-OAWZEMCWNA-N
SMILESO([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)[C@H](C1C=CC=CC=1)C#N |&1:1,2,3,5,7,12,r|
安全數(shù)據(jù)
警示詞危險(xiǎn)
危險(xiǎn)性描述H301-H360
危險(xiǎn)品標(biāo)志T
危險(xiǎn)類別碼36/37/38-25-60
危險(xiǎn)品運(yùn)輸編號UN 2811 6.1 / PGIII
WGK Germany3
RTECS號UL3420000
存儲(chǔ)類別6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
toxic compounds or compounds which causing chronic effects
危險(xiǎn)性類別Acute Tox. 3 Oral
Repr. 1B
Repr. 1B