CAS号:482-38-2-山奈苷 - Lespedin-科华智慧

1. 主信息

英文名:	Lespedin
中文名:	山奈苷
CAS编号:	482-38-2
化学分子式：	C₂₇H₃₀O₁₄
化学分子量：	578.5 g/mol
SMILES：	CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
来源：	伞花木罗汉果无梗五加狗肝菜银叶树
结构类型：	黄酮醇类/二氢黄酮醇类
其它名称或标识：	3,7-bis-(alpha-6-deoxymannopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one kaempferitrin kaempferol 3,7-dirhamnoside lespedin lespenefril

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%	560	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 71 75 0 1 0 0 0 0 0999 V2000 -3.9321 1.8355 -1.0315 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0911 -0.8575 -0.7508 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 0.2924 0.6341 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 1.1221 0.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5054 -0.0177 -0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0643 2.7032 0.7078 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7247 1.1123 -0.4069 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2503 -1.2614 1.1053 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6155 -0.2537 -2.0617 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7872 0.7950 -2.3793 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 -0.9650 0.3291 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7007 2.5991 0.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 3.8343 0.8768 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6755 -5.9018 -0.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2061 0.5400 0.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2357 2.0209 -0.2302 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4200 0.6665 -0.0440 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4109 -0.8612 0.0250 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1879 -0.2230 -0.6991 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8146 2.6005 -0.2044 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3949 1.1747 -1.0592 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9799 -1.3707 0.2467 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8214 0.4585 -0.6554 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0171 0.5716 -0.7919 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7736 4.0371 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8977 -2.8930 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 0.2533 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 1.2269 0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3423 1.4428 0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 1.5307 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 0.1935 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 -0.8869 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3239 0.0834 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5216 2.4777 0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 2.5903 0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8282 -2.2010 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -2.6805 -1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 -2.9661 1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8177 -3.9241 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 -4.2098 1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 -4.6887 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9657 0.4344 1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6935 2.1404 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 1.0874 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -1.2734 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1285 -1.2611 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 2.6087 0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 2.2692 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6195 -1.0688 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1984 -0.0002 -1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3686 0.8196 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1523 4.0957 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3589 4.7124 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7407 4.4018 -0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2487 -3.2588 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4855 -3.3700 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8573 -3.2217 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7161 0.0251 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2116 3.6037 0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3478 0.7518 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3721 -2.2236 1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5296 0.6415 -2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6731 -0.1661 -2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 -0.8992 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1444 3.3657 0.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0014 -2.1008 -1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -2.6061 2.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 3.7919 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0989 -4.2864 -2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8951 -4.8008 2.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8604 -6.0737 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 15 1 0 0 0 0 5 58 1 0 0 0 0 6 16 1 0 0 0 0 6 59 1 0 0 0 0 7 17 1 0 0 0 0 7 60 1 0 0 0 0 8 18 1 0 0 0 0 8 61 1 0 0 0 0 9 19 1 0 0 0 0 9 62 1 0 0 0 0 10 21 1 0 0 0 0 10 63 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 30 2 0 0 0 0 13 35 1 0 0 0 0 13 68 1 0 0 0 0 14 41 1 0 0 0 0 14 71 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 18 45 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 30 1 0 0 0 0 27 32 2 0 0 0 0 28 33 1 0 0 0 0 28 34 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 35 2 0 0 0 0 31 33 2 0 0 0 0 32 36 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 66 1 0 0 0 0 38 40 2 0 0 0 0 38 67 1 0 0 0 0 39 41 2 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 40 70 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one

4.2 InChl

InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1

4.3 InChlKey

PUPKKEQDLNREIM-QNSQPKOQSA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O

4.5 lsomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 45 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 8.66025 -1 0 0
M  V30 2 C 7.79423 -1.5 0 0
M  V30 3 C 7.79423 -2.5 0 0
M  V30 4 C 6.9282 -3 0 0
M  V30 5 C 6.06218 -2.5 0 0
M  V30 6 C 6.06218 -1.5 0 0
M  V30 7 O 6.9282 -1 0 0
M  V30 8 O 5.19615 -1 0 0
M  V30 9 C 4.33013 -1.5 0 0
M  V30 10 C 4.33013 -2.5 0 0
M  V30 11 C 3.4641 -3 0 0
M  V30 12 C 2.59808 -2.5 0 0
M  V30 13 C 2.59808 -1.5 0 0
M  V30 14 C 3.4641 -1 0 0
M  V30 15 O 1.73205 -1 0 0
M  V30 16 C 0.866025 -1.5 0 0
M  V30 17 C 0.866025 -2.5 0 0
M  V30 18 C 1.73205 -3 0 0
M  V30 19 O 1.73205 -4 0 0
M  V30 20 O 3.77476e-15 -3 0 0
M  V30 21 C 4.44089e-15 -4 0 0
M  V30 22 C -0.866025 -4.5 0 0
M  V30 23 C -0.866025 -5.5 0 0
M  V30 24 C 7.10543e-15 -6 0 0
M  V30 25 C 0.866025 -5.5 0 0
M  V30 26 O 0.866025 -4.5 0 0
M  V30 27 C 1.73205 -6 0 0
M  V30 28 O 8.43769e-15 -7 0 0
M  V30 29 O -1.73205 -6 0 0
M  V30 30 O -1.73205 -4 0 0
M  V30 31 C 1.60982e-15 -1 0 0
M  V30 32 C -0.866025 -1.5 0 0
M  V30 33 C -1.73205 -1 0 0
M  V30 34 C -1.73205 -2.10942e-15 0 0
M  V30 35 C -0.866025 0.5 0 0
M  V30 36 C 0 -0 0 0
M  V30 37 O -2.59808 0.5 0 0
M  V30 38 O 3.4641 -4 0 0
M  V30 39 O 5.19615 -3 0 0
M  V30 40 O 6.9282 -4 0 0
M  V30 41 O 8.66025 -3 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 41
M  V30 6 1 4 5
M  V30 7 1 4 40
M  V30 8 1 5 6
M  V30 9 1 5 39
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 2 11 12
M  V30 17 1 11 38
M  V30 18 1 12 18
M  V30 19 1 12 13
M  V30 20 2 13 14
M  V30 21 1 13 15
M  V30 22 1 15 16
M  V30 23 2 16 17
M  V30 24 1 16 31
M  V30 25 1 17 18
M  V30 26 1 17 20
M  V30 27 2 18 19
M  V30 28 1 20 21
M  V30 29 1 21 26
M  V30 30 1 21 22
M  V30 31 1 22 23
M  V30 32 1 22 30
M  V30 33 1 23 24
M  V30 34 1 23 29
M  V30 35 1 24 25
M  V30 36 1 24 28
M  V30 37 1 25 26
M  V30 38 1 25 27
M  V30 39 1 31 36
M  V30 40 2 31 32
M  V30 41 1 32 33
M  V30 42 2 33 34
M  V30 43 1 34 35
M  V30 44 1 34 37
M  V30 45 2 35 36
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
贯众	root of Chinese Angelica	Rhizoma Dryopteris crassirhizomae

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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