17388-39-5
中文名称
獐牙菜苦甙
英文名称
Swertiamarine
CAS
17388-39-5
分子式
C16H22O10
MDL 编号
MFCD07783984
分子量
374.34
MOL 文件
17388-39-5.mol
更新日期
2024/04/19 16:13:43
17388-39-5 结构式
基本信息
中文别名
5-乙烯基-6-(β-D-吡喃葡糖氧基)-4,4α,5,6-四氢-4α-羟基-1H,3H-吡喃并[3,4-C]吡喃-1-酮獐牙菜苦苷
獐牙菜苦甙
獐牙菜苦素
5-乙烯基-6-(beta-D-吡喃葡糖氧基)-4,4a,5,6-四氢-4a-羟基-1H,3H-吡喃并[3,4-C]吡喃-1-酮
当药苦苷
英文别名
SWERTIAMAINSWERTIAMARIN
(4ar-(4a-alpha,5-beta,6-alpha))-ranosyloxy)-4a-hydroxy
1h,3h-pyrano(3,4-c)pyran-1-one,4,4a,5,6-tetrahydro-5-ethenyl-6-(beta-d-glucopy
1H,3H-Pyrano[3,4-c]pyran-1-one,4,4.alpha.,5,6-tetrahydro-5-ethenyl-6-(.beta.-D-glucopyranosyloxy)-4.alpha.-hydroxy-,[4ar-(4.alpha.-.alpha.,5-.beta.,D-.alpha.)]-
3H-Pyrano[3,4-c]pyran-1-one,4,4.alpha.,5,6-tetrahydro-5-ethenyl-6-(.beta.-D-glucopyranosyloxy)-4.1H
4-c)pyran-1-one,4,4a,5,6-tetrahydro-5-ethenyl-6-(beta-d-glucopyranosyloxy)-4a-hydroxy-3h-pyrano(1
Swertiamarin(6CI,7CI,8CI)
Swertiamarine
Swertiamaroside
SWERTIAMARIN, 98+% BY HPLC
Swertiamarin std.
SWERTIAMARIN(P)
(5R,6S)-5-Ethenyl-4a-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[5,4-c]pyran-1-one
glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-,(4aR,5R, 6S)-
Swertiamarin，Swertiamarine，Swertiamaroside
(4aR)-4aα-Hydroxy-5β-vinyl-6α-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one
4aα-Hydroxy-6α-(β-D-glucopyranosyloxy)-5β-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one
6α-(β-D-Glucopyranosyloxy)-4,4a,5,6-tetrahydro-4aα-hydroxy-5β-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one
所属类别
原料药：胃肠解痉药物理化学性质
外观性质属裂环环烯醚萜苷类化合物。无色粉末，味苦。在空气中略有吸湿性。易溶于甲醇、乙醇、微溶于水，不溶于氯仿、石油醚。熔点：113～115℃
外观性状白色结晶体，易溶于水、甲醇、乙醇，几乎不溶于氯仿、乙醚，石油醚，来源于长梗秦艽（西藏）当药、獐牙菜、青叶胆，鱼腥草。
熔点113-114°
比旋光度D20 -127° (c = 1 in 96% ethanol)
沸点649.3±55.0 °C(Predicted)
密度1.57±0.1 g/cm3(Predicted)
储存条件Sealed in dry,Store in freezer, under -20°C
溶解度DMSO : 250 mg/mL (667.84 mM; Need ultrasonic)
酸度系数(pKa)11.56±0.60(Predicted)
形态neat
颜色白色到黄色到橙色
最大波长(λmax)238nm(MeOH)(lit.)
Merck14,9010
BRN55278
InChIKeyHEYZWPRKKUGDCR-QBXMEVCASA-N
安全数据
警示词危险
安全说明24/25
WGK Germany3
RTECS号UQ1366700
海关编码29389090
毒性mouse,LD50,intraperitoneal,> 8gm/kg (8000mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 464, 1982.