CAS号:24808-04-6-(-)-表阿夫儿茶精 - (-)-Epiafzelechin-科华智慧

1. 主信息

英文名:	(-)-Epiafzelechin
中文名:	(-)-表阿夫儿茶精
CAS编号:	24808-04-6
化学分子式：	C₁₅H₁₄O₅
化学分子量：	274.27 g/mol
SMILES：	C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O
来源：	-
结构类型：	黄烷类/异黄烷类/黄烷醇类
其它名称或标识：	(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol afzelechin

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	5mg	HPLC≥98%	2400	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 34 36 0 1 0 0 0 0 0999 V2000 0.1900 0.7318 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 -1.4736 1.6496 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1282 -2.0892 -0.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 2.6533 -0.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0952 0.7549 0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 -1.6756 0.2422 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5971 -0.4081 -0.5142 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2792 -2.0008 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 -0.7562 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5441 0.5177 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 -0.0961 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 -0.8669 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3472 1.6609 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 -0.6312 -1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 0.7242 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3231 0.2757 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 1.5388 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -0.3452 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8275 1.0101 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7745 0.4755 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8052 -2.5339 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4341 -0.5539 -1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 -2.4533 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6639 -2.7151 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8843 2.6450 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2619 -1.4877 1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 -1.2739 -2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7557 1.1450 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 0.1893 -0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1011 -0.7651 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1315 1.6493 1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -1.9676 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 3.4398 -0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1951 1.3359 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 32 1 0 0 0 0 4 17 1 0 0 0 0 4 33 1 0 0 0 0 5 20 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 11 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 15 19 2 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

4.2 InChl

InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m1/s1

4.3 InChlKey

RSYUFYQTACJFML-UKRRQHHQSA-N

4.4 Canonical SMILES

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O

4.5 lsomeric SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -1.73205 3 0 0
M  V30 2 C -0.866025 2.5 0 0
M  V30 3 C -0.866025 1.5 0 0
M  V30 4 O -1.73205 1 0 0
M  V30 5 C -2.59808 1.5 0 0
M  V30 6 C -3.4641 1 0 0
M  V30 7 C -4.33013 1.5 0 0
M  V30 8 C -4.33013 2.5 0 0
M  V30 9 C -3.4641 3 0 0
M  V30 10 C -2.59808 2.5 0 0
M  V30 11 O -3.4641 4 0 0
M  V30 12 O -5.19615 1 0 0
M  V30 13 C -5.03586e-16 1 0 0
M  V30 14 C 0.866025 1.5 0 0
M  V30 15 C 1.73205 1 0 0
M  V30 16 C 1.73205 8.88178e-16 0 0
M  V30 17 C 0.866025 -0.5 0 0
M  V30 18 C 0 -0 0 0
M  V30 19 O 2.59808 -0.5 0 0
M  V30 20 O 4.35546e-17 3 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 10
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 2 20
M  V30 5 1 3 4
M  V30 6 1 3 13
M  V30 7 1 4 5
M  V30 8 1 5 10
M  V30 9 2 5 6
M  V30 10 1 6 7
M  V30 11 2 7 8
M  V30 12 1 7 12
M  V30 13 1 8 9
M  V30 14 2 9 10
M  V30 15 1 9 11
M  V30 16 1 13 18
M  V30 17 2 13 14
M  V30 18 1 14 15
M  V30 19 2 15 16
M  V30 20 1 16 17
M  V30 21 1 16 19
M  V30 22 2 17 18
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

回顶

6. 相关药材

中文名称	英文名称	拉丁文名称
艾麻黄	Small Ephedra	Ephedra minuta
骨碎补	rhizome of Heartleaf Dryria	Rhizoma Dryriae
景天三七	Sedum Aizoon L.	-
麻黄	Ephedra	Herba Ephedrae
麻黄根	Ephedra Root	Radix Ephedrae
木贼麻黄	Mongolian Ephedra	Ephedra equisetina
山岭麻黄	Gerard Ephedra	Ephedra gerardiana
双穗麻黄	Jointfir Ephedra	Ephedra distachya
余甘子	Emblic Leafflower Fruit	Fructus Phyllanthi
中麻黄	Intermediate Ephedra	Ephedra intermedia

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型