CAS: 58546-55-7; (5S,6S,7S)-6-Hydroxy-1,2,3,13-Tetramethoxy-6,7-Dimethyl-5,6,7,8-Tetrahydrobenzo[3',4']Cycloocta[1',2':4,5]Benzo[1,2-D][1,3]Dioxol-5-Yl (Z)-2-Methylbut-2-Enoate

Schisantherin B,生物活性化合物,展示了强大的抗炎和止痛剂特性.它从Schisandra中国人身上衍生出来,在特定细胞路径上表现出高度选择性. 它的结构特征有助于它的稳定性和生物利用率,使它成为制药业药物开发的宝贵候选产品.

英文名称(5S,6S,7S)-6-Hydroxy-1,2,3,13-Tetramethoxy-6,7-Dimethyl-5,6,7,8-Tetrahydrobenzo[3',4']Cycloocta[1',2':4,5]Benzo[1,2-D][1,3]Dioxol-5-Yl (Z)-2-Methylbut-2-Enoate
中文名称五味子酯乙
IUPAC名称(5S,6S,7S)-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl (Z)-2-methylbut-2-enoate
其它别名SCHISANTHERIN B; 2-BUTENOIC ACID, 2-METHYL-, (5S,6S,7S,13AS)-5,6,7,13A-TETRAHYDRO-6-HYDROXY-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYLBENZO[3,4]CYCLO°CTA[1,2-F][1,3]BENZODIOXOL-5-YL ESTER, (2Z)-; SCHISANTHERIN B 98.0% BY HPLC; GOMISINB; (5S)-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7β-dimethylbenzo[3,4]cyclo°Cta[1,2-f][1,3]benzodioxole-5α,6β-diol 5-[(Z)-2-methyl-2-butenoate]; (5S)-6α,7β-Dimethyl-1,2,3,12-tetramethoxy-10,11-methylenedioxy(5,6,7,8-tetrahydrodibenzo[a,c]cyclo°Ctene)-5α,6β-diol 5-[(Z)-2-methyl-2-butenoate]; 2-Butenoic acid, 2-methyl-, (5S,6S,7S,13as)-5,6,7,13A-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3,4]cyclo°Cta[1,2-F][1,3]benzodioxol-5-yl ester, (2Z)-
CAS编号58546-55-7
MFCD编号:MFCD08460221
FDA UNII编号:97ZTC185XV
分子式:C28H34O9
分子量:514.57
产品CID: 1560236
产品分类生物化工 → 中草药成分

相似结构搜索
InChIKey: BKGUPIVDQHHVMV-ZROIWOOFNA-N
InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-1…
计算化学: 氢键受体数9.0氢键供体数1.0可旋转键数7.0

物理性质

沸点675.0±55.0 °C at 760 mmHg
闪点220.3±25.0 °C
密度1.3±0.1 g/cm3
pKa:13.54±0.60(预测)
PSA:101.91
LogP:3.84
折射率1.586
蒸汽压0.0±2.2 mmHg at 25°C
溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
外观形态固体;White to Light yellow powder to crystal
储存条件0-10°C;避免加热
产品应用该化合物是一个与S. SPHENANTHERA 水果隔离的离子体,

MSDS等安全信息

警示词Warning
危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264Thoroughly clean after treatmentP280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective maskP305If it enters the eyesP351Rinse carefully with water for a few minutesP338Remove the contact lens(If any)And easy to operate,Continue flushingP337If eye irritation persistsP313Obtain medical advice/care
安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

上下游产品

CAS号80-59-1 惕格酸 | CAS号58546-59-1 deangeloylgomisin B | CAS号565-63-9 当归酸

合成工艺路线路线简述

海关参考信息

2901210000-乙烯
2901220000-丙烯
2902600000-乙苯
2905122000-异丙醇
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主要参考文献

1: Lin L, Tang Z, Xie H, Yang L, Yang B, Li H. Characterization of Differences in Chemical Profiles and Antioxidant Activities of Schisandra chinensis and Schisandra sphenanthera Based on Multi-Technique Data Fusion. Molecules. 2024 Oct 14;29(20):4865. doi: 10.3390/molecules29204865.
2: Wang L, Liu K, Wu T, Chen X, Chen Y, Yue C, Wang Z, Wu H, Tang L. Effective strategy for distinguishing raw and vinegar Schisandrae Chinensis Fructus based on electronic eye and electronic tongue combined with chemometrics. Phytochem Anal. 2024 Aug 5. doi: 10.1002/pca.3427. Epub ahead of print. 17(4):442. doi: 10.3390/ph17040442.
4: Ding Y, Guo N, Jiang Y, Liu S, Zhou T, Bai H, Lv Y, Han S, He L. Establishment of cluster of differentiation 20 immobilized cell membrane chromatography for the screening of active antitumor components in traditional Chinese medicine. J Chromatogr A. 2024 Apr 26;1721:464845. doi: 10.1016/j.chroma.2024.464845. Epub 2024 Mar 24. 28(18):6448. doi: 10.3390/molecules28186448.

合成参考文献

参考文献:10.1021/np060239e
摘要:Chen M, Kilgore N, Lee KH, Chen DF. Rubrisandrins A and B, lignans and related anti-HIV compounds from Schisandra rubriflora. J Nat Prod. 2006 Dec;69(12):1697–701. doi: 10.1021/np060239e.