CAS号:139726-35-5-细叶远志苷A - Tenuifoliside A-科华智慧

1. 主信息

英文名:	Tenuifoliside A
中文名:	细叶远志苷A
CAS编号:	139726-35-5
化学分子式：	C₃₁H₃₈O₁₇
化学分子量：	682.6 g/mol
SMILES：	COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)CO)O
来源：	远志
结构类型：	其他苯丙素类
其它名称或标识：	tenuifoliside 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	20mg	HPLC≥98%	1792	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 86 89 0 1 0 0 0 0 0999 V2000 4.7142 -0.3531 -1.1584 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6082 0.3085 0.8259 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 1.9310 -0.8525 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 -2.0305 0.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8455 -3.2407 -0.5809 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1795 2.3513 2.6632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 4.0186 2.4363 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 -0.7986 2.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0571 2.9801 0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 -0.4190 -3.7878 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 2.2207 -2.0109 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2315 -2.0369 2.4387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 -0.0436 -2.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5351 -2.9845 -0.4933 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 0.6816 2.5727 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4275 1.5020 -1.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0588 -1.0717 0.8063 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4979 -0.6332 0.2339 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9450 -2.0582 0.3083 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5569 -2.7299 -0.9047 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7147 -1.5858 -1.9057 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8751 1.6329 0.3684 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5650 2.6934 1.4259 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0611 2.8576 1.6363 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8406 -0.4739 0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 3.0452 0.2959 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7700 1.9686 -0.7129 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5779 -1.5129 -2.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 2.2272 -2.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7914 -2.0227 1.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 -1.9933 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 1.0146 -2.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5216 -1.3973 1.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3055 1.1424 -2.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9716 -1.3114 1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 0.2862 -2.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 2.1194 -1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7355 -0.3464 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 -2.1959 0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 0.4072 -2.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 2.2403 -1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0757 1.3843 -1.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9531 -2.1152 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1082 -0.2655 1.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -1.1500 1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6826 -3.9400 -1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1432 1.5460 3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9053 -1.8488 1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 -2.5801 1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -3.5566 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6728 -1.6294 -2.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 1.7651 0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 3.6588 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 2.0091 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2647 0.5310 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6009 -1.1374 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 4.0443 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4145 0.9875 -0.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -1.3403 -2.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -2.4302 -3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2173 -3.6293 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 3.2101 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5677 1.5008 -2.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 2.2529 2.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1923 4.7884 1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 -0.7090 2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 2.0870 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 -0.3914 -4.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 -2.4186 -0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1771 -0.9424 2.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 -0.4796 -3.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2387 2.8026 -0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 0.3180 2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9679 -2.9516 0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1706 -0.2636 -3.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6576 3.0044 -0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6319 2.2247 -1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -3.4569 -1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 -4.6295 -0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 -4.5425 -1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 0.9928 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4053 2.1599 2.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8812 2.2340 3.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6793 -2.9147 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7947 -1.5415 2.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9414 -1.6802 1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 18 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 3 27 1 0 0 0 0 4 19 1 0 0 0 0 4 30 1 0 0 0 0 5 20 1 0 0 0 0 5 61 1 0 0 0 0 6 23 1 0 0 0 0 6 64 1 0 0 0 0 7 24 1 0 0 0 0 7 65 1 0 0 0 0 8 25 1 0 0 0 0 8 66 1 0 0 0 0 9 26 1 0 0 0 0 9 67 1 0 0 0 0 10 28 1 0 0 0 0 10 68 1 0 0 0 0 11 29 1 0 0 0 0 11 32 1 0 0 0 0 12 30 2 0 0 0 0 13 32 2 0 0 0 0 14 43 1 0 0 0 0 14 46 1 0 0 0 0 15 44 1 0 0 0 0 15 47 1 0 0 0 0 16 42 1 0 0 0 0 16 77 1 0 0 0 0 17 45 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 28 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 29 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 31 33 2 0 0 0 0 31 69 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 70 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 36 71 1 0 0 0 0 37 41 2 0 0 0 0 37 72 1 0 0 0 0 38 44 1 0 0 0 0 38 73 1 0 0 0 0 39 43 2 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 40 75 1 0 0 0 0 41 42 1 0 0 0 0 41 76 1 0 0 0 0 43 45 1 0 0 0 0 44 45 2 0 0 0 0 46 78 1 0 0 0 0 46 79 1 0 0 0 0 46 80 1 0 0 0 0 47 81 1 0 0 0 0 47 82 1 0 0 0 0 47 83 1 0 0 0 0 48 84 1 0 0 0 0 48 85 1 0 0 0 0 48 86 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate

4.2 InChl

InChI=1S/C31H38O17/c1-41-18-10-15(11-19(42-2)27(18)43-3)4-9-22(35)46-28-24(37)20(12-32)47-31(28,14-33)48-30-26(39)25(38)23(36)21(45-30)13-44-29(40)16-5-7-17(34)8-6-16/h4-11,20-21,23-26,28,30,32-34,36-39H,12-14H2,1-3H3/b9-4+/t20-,21-,23-,24-,25+,26-,28+,30-,31+/m1/s1

4.3 InChlKey

BBUQNXDJRVCZTI-FNUXIAMKSA-N

4.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)CO)O

4.5 lsomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)CO)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 48 51 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 10.4778 -4.9874 0 0
M  V30 2 O 9.49963 -4.77948 0 0
M  V30 3 C 9.19062 -3.82843 0 0
M  V30 4 C 8.21247 -3.62052 0 0
M  V30 5 C 7.90345 -2.66946 0 0
M  V30 6 C 8.57258 -1.92632 0 0
M  V30 7 C 9.55073 -2.13423 0 0
M  V30 8 C 9.85975 -3.08528 0 0
M  V30 9 O 10.8379 -3.2932 0 0
M  V30 10 C 11.507 -2.55005 0 0
M  V30 11 O 10.2199 -1.39108 0 0
M  V30 12 C 11.198 -1.59899 0 0
M  V30 13 C 6.9253 -2.46155 0 0
M  V30 14 C 6.25617 -3.20469 0 0
M  V30 15 C 5.27803 -2.99678 0 0
M  V30 16 O 4.96901 -2.04573 0 0
M  V30 17 O 4.6089 -3.73993 0 0
M  V30 18 C 4.91791 -4.69098 0 0
M  V30 19 C 5.86897 -5 0 0
M  V30 20 C 5.86897 -6 0 0
M  V30 21 O 4.91791 -6.30902 0 0
M  V30 22 C 4.33013 -5.5 0 0
M  V30 23 C 3.4641 -5 0 0
M  V30 24 O 3.4641 -4 0 0
M  V30 25 O 3.4641 -6 0 0
M  V30 26 C 2.59808 -5.5 0 0
M  V30 27 C 1.73205 -6 0 0
M  V30 28 C 0.866025 -5.5 0 0
M  V30 29 C 0.866025 -4.5 0 0
M  V30 30 C 1.73205 -4 0 0
M  V30 31 O 2.59808 -4.5 0 0
M  V30 32 C 1.73205 -3 0 0
M  V30 33 O 0.866025 -2.5 0 0
M  V30 34 C 0.866025 -1.5 0 0
M  V30 35 O 1.73205 -1 0 0
M  V30 36 C 3.60822e-16 -1 0 0
M  V30 37 C -0.866025 -1.5 0 0
M  V30 38 C -1.73205 -1 0 0
M  V30 39 C -1.73205 -6.10623e-16 0 0
M  V30 40 C -0.866025 0.5 0 0
M  V30 41 C 0 -0 0 0
M  V30 42 O -2.59808 0.5 0 0
M  V30 43 O 2.77556e-16 -4 0 0
M  V30 44 O -8.88178e-16 -6 0 0
M  V30 45 O 1.73205 -7 0 0
M  V30 46 C 6.67799 -6.58779 0 0
M  V30 47 O 7.59153 -6.18105 0 0
M  V30 48 O 6.67799 -4.41221 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 5 13
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 7 11
M  V30 11 1 8 9
M  V30 12 1 9 10
M  V30 13 1 11 12
M  V30 14 2 13 14
M  V30 15 1 14 15
M  V30 16 2 15 16
M  V30 17 1 15 17
M  V30 18 1 17 18
M  V30 19 1 18 22
M  V30 20 1 18 19
M  V30 21 1 19 20
M  V30 22 1 19 48
M  V30 23 1 20 21
M  V30 24 1 20 46
M  V30 25 1 21 22
M  V30 26 1 22 23
M  V30 27 1 22 25
M  V30 28 1 23 24
M  V30 29 1 25 26
M  V30 30 1 26 31
M  V30 31 1 26 27
M  V30 32 1 27 28
M  V30 33 1 27 45
M  V30 34 1 28 29
M  V30 35 1 28 44
M  V30 36 1 29 30
M  V30 37 1 29 43
M  V30 38 1 30 31
M  V30 39 1 30 32
M  V30 40 1 32 33
M  V30 41 1 33 34
M  V30 42 2 34 35
M  V30 43 1 34 36
M  V30 44 1 36 41
M  V30 45 2 36 37
M  V30 46 1 37 38
M  V30 47 2 38 39
M  V30 48 1 39 40
M  V30 49 1 39 42
M  V30 50 2 40 41
M  V30 51 1 46 47
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