CAS号:39012-04-9-淫羊藿属苷A；淫羊藿新苷A

1. 主信息

英文名:	Epimedoside A
中文名:	淫羊藿属苷A；淫羊藿新苷A
CAS编号:	39012-04-9
化学分子式：	C₃₂H₃₈O₁₅
化学分子量：	662.6 g/mol
SMILES：	CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)O
来源：	淫羊藿偏斜淫羊藿巫山淫羊藿
结构类型：	黄酮醇类/二氢黄酮醇类
其它名称或标识：	epimedoside A

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%	1280	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 85 89 0 1 0 0 0 0 0999 V2000 4.9164 -0.2058 0.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2902 -0.2694 -0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0497 -0.7170 -1.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4166 -0.8770 0.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7572 -0.1453 -0.8856 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3001 -0.3547 1.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6269 -1.5300 -2.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5186 -3.8762 0.9121 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7478 -1.4431 1.7582 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4453 -3.0296 -1.5119 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2744 -0.0888 3.2376 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 0.8005 -0.6053 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -3.8469 0.0325 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 -2.9343 0.5144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9107 5.1374 -0.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5968 -0.7479 -0.3106 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2940 -0.0304 1.0050 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4259 -0.6312 -1.2867 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9257 -0.4480 1.5490 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8719 -2.6079 0.8355 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9211 -1.5209 0.5995 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1014 -0.9863 -0.6113 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8336 -2.6198 -0.2878 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2348 -0.1718 0.3447 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2480 -1.2256 -0.5040 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5503 0.3412 2.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2348 0.9149 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 -0.9739 -1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 0.0441 -1.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1144 -0.6563 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5289 -0.2407 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -1.5392 -0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.8131 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4343 -2.2740 -0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 0.5510 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 -2.5616 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2017 1.4348 -1.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 1.7529 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 2.2555 -0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1069 2.1982 0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 2.4450 -1.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 3.3899 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9142 3.3356 0.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5244 3.5823 -1.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 3.9952 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 4.1602 1.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1229 4.0277 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -1.7983 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3282 1.0548 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 0.3781 -1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9124 -1.5161 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3798 -2.4434 1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5637 -1.8001 -0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0962 -2.0538 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0586 -3.3561 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7153 0.1678 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6781 -1.2366 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4828 1.4118 2.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2714 0.1827 3.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7654 0.6480 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9696 1.0841 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7155 1.8583 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5530 0.7869 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2685 -1.3140 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6699 -2.4333 -2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8297 -4.5474 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1923 -1.1658 2.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 -3.0874 -2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1632 -3.0785 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 1.8941 -2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 1.4001 -2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 0.4327 4.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6364 1.8890 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0677 -3.9274 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9516 1.6768 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 2.1098 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3773 3.6780 1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6796 4.1122 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 4.0257 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1672 5.0261 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 3.4885 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0492 5.1736 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 4.2271 2.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6774 3.6795 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9451 5.4879 -1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 22 1 0 0 0 0 3 28 1 0 0 0 0 4 25 1 0 0 0 0 4 30 1 0 0 0 0 5 16 1 0 0 0 0 5 63 1 0 0 0 0 6 17 1 0 0 0 0 6 64 1 0 0 0 0 7 18 1 0 0 0 0 7 65 1 0 0 0 0 8 20 1 0 0 0 0 8 66 1 0 0 0 0 9 21 1 0 0 0 0 9 67 1 0 0 0 0 10 23 1 0 0 0 0 10 68 1 0 0 0 0 11 26 1 0 0 0 0 11 72 1 0 0 0 0 12 31 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 74 1 0 0 0 0 14 33 2 0 0 0 0 15 47 1 0 0 0 0 15 85 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 18 22 1 0 0 0 0 18 50 1 0 0 0 0 19 26 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 52 1 0 0 0 0 21 24 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 25 1 0 0 0 0 23 55 1 0 0 0 0 24 27 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 34 1 0 0 0 0 29 31 1 0 0 0 0 29 37 1 0 0 0 0 30 33 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 35 38 1 0 0 0 0 37 39 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 2 0 0 0 0 39 73 1 0 0 0 0 40 43 1 0 0 0 0 40 75 1 0 0 0 0 41 44 2 0 0 0 0 41 76 1 0 0 0 0 42 45 1 0 0 0 0 42 46 1 0 0 0 0 43 47 2 0 0 0 0 43 77 1 0 0 0 0 44 47 1 0 0 0 0 44 78 1 0 0 0 0 45 79 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 46 82 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

4.2 InChl

InChI=1S/C32H38O15/c1-12(2)4-9-16-18(44-32-27(42)25(40)22(37)19(11-33)45-32)10-17(35)20-23(38)30(47-31-26(41)24(39)21(36)13(3)43-31)28(46-29(16)20)14-5-7-15(34)8-6-14/h4-8,10,13,19,21-22,24-27,31-37,39-42H,9,11H2,1-3H3/t13-,19+,21-,22+,24+,25-,26+,27+,31-,32+/m0/s1

4.3 InChlKey

OGYXOOJUJQIDOX-FVCAYHPDSA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)O

4.5 lsomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 47 51 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 1.73205 -6 0 0
M  V30 2 C 0.866025 -5.5 0 0
M  V30 3 C 3.9968e-15 -6 0 0
M  V30 4 C -0.866025 -5.5 0 0
M  V30 5 C -0.866025 -4.5 0 0
M  V30 6 C 3.10862e-15 -4 0 0
M  V30 7 O 0.866025 -4.5 0 0
M  V30 8 O 2.22045e-15 -3 0 0
M  V30 9 C 0.866025 -2.5 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 O 1.73205 -1 0 0
M  V30 12 C 2.59808 -1.5 0 0
M  V30 13 C 2.59808 -2.5 0 0
M  V30 14 C 1.73205 -3 0 0
M  V30 15 O 1.73205 -4 0 0
M  V30 16 C 3.4641 -3 0 0
M  V30 17 C 4.33013 -2.5 0 0
M  V30 18 C 4.33013 -1.5 0 0
M  V30 19 C 3.4641 -1 0 0
M  V30 20 C 3.4641 -1.33227e-15 0 0
M  V30 21 C 4.33013 0.5 0 0
M  V30 22 C 4.33013 1.5 0 0
M  V30 23 C 3.4641 2 0 0
M  V30 24 C 5.19615 2 0 0
M  V30 25 O 5.19615 -1 0 0
M  V30 26 C 6.06218 -1.5 0 0
M  V30 27 C 6.9282 -1 0 0
M  V30 28 C 7.79423 -1.5 0 0
M  V30 29 C 7.79423 -2.5 0 0
M  V30 30 C 6.9282 -3 0 0
M  V30 31 O 6.06218 -2.5 0 0
M  V30 32 C 6.9282 -4 0 0
M  V30 33 O 7.79423 -4.5 0 0
M  V30 34 O 8.66025 -3 0 0
M  V30 35 O 8.66025 -1 0 0
M  V30 36 O 6.9282 1.33227e-15 0 0
M  V30 37 O 3.4641 -4 0 0
M  V30 38 C 9.4369e-16 -1 0 0
M  V30 39 C -0.866025 -1.5 0 0
M  V30 40 C -1.73205 -1 0 0
M  V30 41 C -1.73205 -2.22045e-15 0 0
M  V30 42 C -0.866025 0.5 0 0
M  V30 43 C -0 -0 0 0
M  V30 44 O -2.59808 0.5 0 0
M  V30 45 O -1.73205 -4 0 0
M  V30 46 O -1.73205 -6 0 0
M  V30 47 O 4.88498e-15 -7 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 3 47
M  V30 6 1 4 5
M  V30 7 1 4 46
M  V30 8 1 5 6
M  V30 9 1 5 45
M  V30 10 1 6 7
M  V30 11 1 6 8
M  V30 12 1 8 9
M  V30 13 1 9 14
M  V30 14 2 9 10
M  V30 15 1 10 11
M  V30 16 1 10 38
M  V30 17 1 11 12
M  V30 18 1 12 19
M  V30 19 2 12 13
M  V30 20 1 13 14
M  V30 21 1 13 16
M  V30 22 2 14 15
M  V30 23 2 16 17
M  V30 24 1 16 37
M  V30 25 1 17 18
M  V30 26 2 18 19
M  V30 27 1 18 25
M  V30 28 1 19 20
M  V30 29 1 20 21
M  V30 30 2 21 22
M  V30 31 1 22 23
M  V30 32 1 22 24
M  V30 33 1 25 26
M  V30 34 1 26 31
M  V30 35 1 26 27
M  V30 36 1 27 28
M  V30 37 1 27 36
M  V30 38 1 28 29
M  V30 39 1 28 35
M  V30 40 1 29 30
M  V30 41 1 29 34
M  V30 42 1 30 31
M  V30 43 1 30 32
M  V30 44 1 32 33
M  V30 45 1 38 43
M  V30 46 2 38 39
M  V30 47 1 39 40
M  V30 48 2 40 41
M  V30 49 1 41 42
M  V30 50 1 41 44
M  V30 51 2 42 43
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

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