CAS号:135293-13-9-2''-O-鼠李糖基淫羊藿次苷II - 2''-O-Rhamnosylicariside II-科华智慧

1. 主信息

英文名:	2''-O-Rhamnosylicariside II
中文名:	2''-O-鼠李糖基淫羊藿次苷II
CAS编号:	135293-13-9
化学分子式：	C₃₃H₄₀O₁₄
化学分子量：	660.7 g/mol
SMILES：	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CC=C(C)C)C5=CC=C(C=C5)OC)C)O)O)O)O)O
来源：	淫羊藿
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	-

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	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 87 91 0 1 0 0 0 0 0999 V2000 3.5138 0.5205 0.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4994 2.5464 0.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3113 -1.0979 1.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3595 1.5218 -1.4863 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6113 1.6694 -2.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 4.3845 -1.8521 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -2.8460 0.8889 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1578 -1.5334 2.7527 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -0.3938 4.3968 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7486 -0.2921 -0.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2758 3.4971 -0.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5324 4.3034 0.6373 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9144 1.0299 1.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 -4.4293 -3.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 0.9143 -1.0605 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3032 2.0518 -1.8532 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3965 3.3233 -1.0089 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3615 -0.8609 0.3204 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6850 -1.4238 0.8352 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3269 1.3586 -0.4549 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0075 -0.8756 2.2264 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0249 3.6582 -0.4066 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8304 -1.0785 3.1811 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5424 -0.5256 2.5553 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0977 4.8353 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 -0.8356 3.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 1.2432 -1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4606 0.0151 -1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 2.3593 -0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 2.0243 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5259 0.7100 -0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 -1.1495 -1.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8137 0.3674 0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9184 3.0050 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6529 1.3436 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 -1.0407 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2059 2.6597 0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5003 -2.2605 -0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 -1.1406 -2.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1855 -3.3627 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4005 -2.2427 -3.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0082 -1.8751 1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -3.3537 -2.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7525 -3.1961 1.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 -4.0290 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4675 -3.9678 2.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5112 -5.5313 -2.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 0.0859 -1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7246 2.2551 -2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 3.1936 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0942 -1.4330 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 -1.1904 0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 0.5989 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 0.1920 2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3206 3.9319 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 -2.1430 3.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 0.5659 2.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1096 5.0386 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4548 5.7428 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 4.6085 1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1742 -1.9171 3.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 -0.3936 4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -0.4470 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5246 0.8525 -2.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1617 4.5271 -2.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4171 -3.1637 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8866 -1.3954 2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 0.5562 4.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8775 -1.4827 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3855 -1.0453 -0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8579 3.4229 1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8422 -2.2808 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4646 -0.2874 -3.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 -4.1911 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 -2.2305 -4.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0259 -1.3383 2.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6221 4.4240 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3456 1.8309 1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7163 -4.2723 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2818 -4.9693 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2362 -3.5563 -0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4665 -3.3169 3.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 -4.4474 2.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2269 -4.7406 2.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 -5.2512 -1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5621 -5.9803 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -6.2966 -2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 4 27 1 0 0 0 0 5 16 1 0 0 0 0 5 64 1 0 0 0 0 6 17 1 0 0 0 0 6 65 1 0 0 0 0 7 19 1 0 0 0 0 7 66 1 0 0 0 0 8 21 1 0 0 0 0 8 67 1 0 0 0 0 9 23 1 0 0 0 0 9 68 1 0 0 0 0 10 28 1 0 0 0 0 10 31 1 0 0 0 0 11 29 2 0 0 0 0 12 34 1 0 0 0 0 12 77 1 0 0 0 0 13 35 1 0 0 0 0 13 78 1 0 0 0 0 14 43 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 22 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 54 1 0 0 0 0 22 25 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 34 2 0 0 0 0 31 33 2 0 0 0 0 32 38 2 0 0 0 0 32 39 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 35 37 2 0 0 0 0 36 42 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 38 40 1 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 73 1 0 0 0 0 40 43 2 0 0 0 0 40 74 1 0 0 0 0 41 43 1 0 0 0 0 41 75 1 0 0 0 0 42 44 2 0 0 0 0 42 76 1 0 0 0 0 44 45 1 0 0 0 0 44 46 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 47 85 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

4.2 InChl

InChI=1S/C33H40O14/c1-13(2)6-11-18-19(34)12-20(35)21-24(38)30(28(45-29(18)21)16-7-9-17(42-5)10-8-16)46-33-31(26(40)23(37)15(4)44-33)47-32-27(41)25(39)22(36)14(3)43-32/h6-10,12,14-15,22-23,25-27,31-37,39-41H,11H2,1-5H3/t14-,15-,22-,23-,25+,26+,27+,31+,32-,33-/m0/s1

4.3 InChlKey

TVBJKPLTBPGHDJ-ZJTKNEERSA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CC=C(C)C)C5=CC=C(C=C5)OC)C)O)O)O)O)O

4.5 lsomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2OC3=C(OC4=C(C(=CC(=C4C3=O)O)O)CC=C(C)C)C5=CC=C(C=C5)OC)C)O)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 3.4641 7 0 0
M  V30 2 C 3.4641 6 0 0
M  V30 3 C 4.33013 5.5 0 0
M  V30 4 C 4.33013 4.5 0 0
M  V30 5 C 3.4641 4 0 0
M  V30 6 C 2.59808 4.5 0 0
M  V30 7 O 2.59808 5.5 0 0
M  V30 8 O 1.73205 4 0 0
M  V30 9 C 0.866025 4.5 0 0
M  V30 10 C 0.866025 5.5 0 0
M  V30 11 C 2.15191e-15 6 0 0
M  V30 12 C -0.866025 5.5 0 0
M  V30 13 O -0.866025 4.5 0 0
M  V30 14 C 1.50862e-15 4 0 0
M  V30 15 O 6.31866e-16 3 0 0
M  V30 16 C -0.866025 2.5 0 0
M  V30 17 C -0.866025 1.5 0 0
M  V30 18 O -1.73205 1 0 0
M  V30 19 C -2.59808 1.5 0 0
M  V30 20 C -3.4641 1 0 0
M  V30 21 C -4.33013 1.5 0 0
M  V30 22 C -4.33013 2.5 0 0
M  V30 23 C -3.4641 3 0 0
M  V30 24 C -2.59808 2.5 0 0
M  V30 25 C -1.73205 3 0 0
M  V30 26 O -1.73205 4 0 0
M  V30 27 O -3.4641 4 0 0
M  V30 28 O -5.19615 1 0 0
M  V30 29 C -3.4641 2.38698e-15 0 0
M  V30 30 C -4.33013 -0.5 0 0
M  V30 31 C -4.33013 -1.5 0 0
M  V30 32 C -3.4641 -2 0 0
M  V30 33 C -5.19615 -2 0 0
M  V30 34 C 2.10622e-16 1 0 0
M  V30 35 C 0.866025 1.5 0 0
M  V30 36 C 1.73205 1 0 0
M  V30 37 C 1.73205 1.38778e-16 0 0
M  V30 38 C 0.866025 -0.5 0 0
M  V30 39 C 0 -0 0 0
M  V30 40 O 2.59808 -0.5 0 0
M  V30 41 C 2.59808 -1.5 0 0
M  V30 42 C -1.73205 6 0 0
M  V30 43 O 2.58458e-15 7 0 0
M  V30 44 O 1.73205 6 0 0
M  V30 45 O 3.4641 3 0 0
M  V30 46 O 5.19615 4 0 0
M  V30 47 O 5.19615 6 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 1 9 10
M  V30 15 1 10 11
M  V30 16 1 10 44
M  V30 17 1 11 12
M  V30 18 1 11 43
M  V30 19 1 12 13
M  V30 20 1 12 42
M  V30 21 1 13 14
M  V30 22 1 14 15
M  V30 23 1 15 16
M  V30 24 1 16 25
M  V30 25 2 16 17
M  V30 26 1 17 18
M  V30 27 1 17 34
M  V30 28 1 18 19
M  V30 29 1 19 24
M  V30 30 2 19 20
M  V30 31 1 20 21
M  V30 32 1 20 29
M  V30 33 2 21 22
M  V30 34 1 21 28
M  V30 35 1 22 23
M  V30 36 2 23 24
M  V30 37 1 23 27
M  V30 38 1 24 25
M  V30 39 2 25 26
M  V30 40 1 29 30
M  V30 41 2 30 31
M  V30 42 1 31 32
M  V30 43 1 31 33
M  V30 44 1 34 39
M  V30 45 2 34 35
M  V30 46 1 35 36
M  V30 47 2 36 37
M  V30 48 1 37 38
M  V30 49 1 37 40
M  V30 50 2 38 39
M  V30 51 1 40 41
M  V30 END BOND
M  V30 END CTAB
M  END

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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

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型