CAS: 41743-41-3; (2R,3R,8S,14R,15R)-2,8-Bis(3,4-Dihydroxyphenyl)-3,4-Dihydro-2H,14H-8,14-Methanobenzo[7,8][1,3]Dioxocino[4,5-H]Chromene-3,5,11,13,15-Pentaol

英文名称(2R,3R,8S,14R,15R)-2,8-Bis(3,4-Dihydroxyphenyl)-3,4-Dihydro-2H,14H-8,14-Methanobenzo[7,8][1,3]Dioxocino[4,5-H]Chromene-3,5,11,13,15-Pentaol
中文名称原花青素A2
IUPAC名称(2R,3R,8S,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-3,4-dihydro-2H,14H-8,14-methanobenzo[7,8][1,3]dioxocino[4,5-h]chromene-3,5,11,13,15-pentaol
其它别名(2R,3R,8S,14R,15R)-2,8-Bis(3,4-Dihydroxyphenyl)-3,4-Dihydro-2H,14H-8,14-Methanobenzo[7,8][1,3]Dioxocino[4,5-H]Chromene-3,5,11,13,15-Pentaol
CAS编号41743-41-3
MFCD编号:MFCD10566019
FDA UNII编号:UQN6668Q4R
分子式:C30H24O12分子量:576.51
产品CID: 1431358
产品分类生物化工 → 提取物 → 植物提取物

相似结构搜索
InChIKey: BAWRXJJHRSKGJI-UVNURZEGSA-N
InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,2
计算化学: 氢键受体数12.0氢键供体数9.0可旋转键数2.0

物理性质

熔点300°C
沸点946 °C at 760 mmHg
闪点525.9 °C
密度1.766g/cm3
pKa:8.77±0.70(预测)
PSA:209.76
LogP:2.7935
折射率1.829
蒸汽压0 mmHg at 25 °C
溶解性DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
外观形态白色至粉红色固体
储存条件2-8°C
产品应用该化合物用作内容确定,识别和药理实验;展示抗癌,抗氧化剂,抗菌和抗炎活动.

上下游产品

合成工艺路线路线简述

合成目标产物 Procyanidin A2 主要起始原料 8,14-Methano-2H,14H-1-Benzopyrano[7,8-D][1,3]Benzodioxocin-3,5,11,13,15-Pentol, 2,8-Bis(3,4-Dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-3,5,7-Trihydroxy-2H-1-Benzopyran-8-Yl]-3,4-Dihydro-, (2R,3R,4R,8S,14R,15R)- (9CI)
(文献来源)合成步骤主要原料 8,14-Methano-2H,14H-1-Benzopyrano[7,8-D][1,3]Benzodioxocin-3,5,11,13,15-Pentol, 2,8-Bis(3,4-Dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-Dihydro-3,5,7-Trihydroxy-2H-1-Benzopyran-8-Yl]-3,4-Dihydro-, (2R,3R,4R,8S,14R,15R)- (9Ci)

专利信息

专利号:CN-106588850-A
优先权日:2016-12-12
标题:A kind of total synthesis method of TalienbisflavanA

专利号:CN-115612114-A
优先权日:2021-07-14
标题:Method and application of copolymer film and its enzymatic self-assembly synthesis

专利号:CN-106588850-B
优先权日:2016-12-12
标题:total synthesis method of TalienbisflavanA

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✅ COA系统入驻 | 共享模式

合成参考文献

参考文献:10.1021/np010414l
摘要:Lin L, Kuo Y, Chou C. Immunomodulatory Proanthocyanidins from Ecdysanthera utilis. J. Nat. Prod. 2002 Mar 14;65(4):505–8. doi: 10.1021/np010414l.
参考文献:10.1021/np300614u
摘要:Pesca MS, Dal Piaz F, Sanogo R, Vassallo A, Bruzual de Abreu M, Rapisarda A, Germanò MP, Certo G, De Falco S, De Tommasi N, Braca A. Bioassay-guided isolation of proanthocyanidins with antiangiogenic activities. J Nat Prod. 2013 Jan 25;76(1):29–35. doi: 10.1021/np300614u.