CAS号:20196-89-8-山柰酚-7-O-α-L-鼠李糖苷 - Kaempferol-7-rhamnoside-科华智慧

1. 主信息

英文名:	Kaempferol-7-rhamnoside
中文名:	山柰酚-7-O-α-L-鼠李糖苷
CAS编号:	20196-89-8
化学分子式：	C₂₁H₂₀O₁₀
化学分子量：	432.4 g/mol
SMILES：	CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O
来源：	大花红景天
结构类型：	黄酮醇类/二氢黄酮醇类
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%	2080	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 51 54 0 1 0 0 0 0 0999 V2000 -3.1293 1.3705 -0.6018 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0004 -0.8069 0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1319 0.3786 -0.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9761 2.3854 1.5087 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2782 0.3830 -2.2351 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 0.0723 0.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0175 -4.4815 0.2848 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 -2.0773 0.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 -3.9018 0.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7115 3.8230 -0.2313 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7397 0.4345 0.1429 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3255 1.8933 0.3397 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9356 -0.2158 -0.9841 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8018 1.9921 0.4980 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4362 -0.0178 -0.7687 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3252 3.4410 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7142 -1.2752 0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6485 -0.3779 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 -2.6494 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 -0.8577 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 -2.2298 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1634 -3.1317 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2909 -2.7091 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9763 -0.3739 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -1.6679 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 0.7259 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 0.8141 -1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0073 1.6785 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7552 1.8548 -1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9335 2.7193 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8075 2.8074 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5954 -0.1203 1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6723 2.4966 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 -1.2795 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4835 1.5093 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 -0.3374 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7648 3.9785 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5808 3.9699 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 3.4796 0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3659 -0.5566 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6519 1.8762 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7937 -0.0927 -2.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 0.6943 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3065 -3.3441 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 -4.6995 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 0.0866 -1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3351 1.6230 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6634 -3.0495 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 1.9193 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9645 3.4547 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 4.3874 0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 11 1 0 0 0 0 3 40 1 0 0 0 0 4 12 1 0 0 0 0 4 41 1 0 0 0 0 5 13 1 0 0 0 0 5 42 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 22 1 0 0 0 0 7 45 1 0 0 0 0 8 25 1 0 0 0 0 8 48 1 0 0 0 0 9 23 2 0 0 0 0 10 31 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 28 30 2 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one

4.2 InChl

InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1

4.3 InChlKey

HQNOUCSPWAGQND-GKLNBGJFSA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)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)C4=CC=C(C=C4)O)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 31 34 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 1.83187e-15 -1 0 0
M  V30 22 C -0.866025 -1.5 0 0
M  V30 23 C -1.73205 -1 0 0
M  V30 24 C -1.73205 -1.22125e-15 0 0
M  V30 25 C -0.866025 0.5 0 0
M  V30 26 C 0 -0 0 0
M  V30 27 O -2.59808 0.5 0 0
M  V30 28 O 3.4641 -4 0 0
M  V30 29 O 5.19615 -3 0 0
M  V30 30 O 6.9282 -4 0 0
M  V30 31 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 31
M  V30 6 1 4 5
M  V30 7 1 4 30
M  V30 8 1 5 6
M  V30 9 1 5 29
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 28
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 21
M  V30 25 1 17 18
M  V30 26 1 17 20
M  V30 27 2 18 19
M  V30 28 1 21 26
M  V30 29 2 21 22
M  V30 30 1 22 23
M  V30 31 2 23 24
M  V30 32 1 24 25
M  V30 33 1 24 27
M  V30 34 2 25 26
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
白饭豆	Kidney Bean	Phaseolus vulgaris
白果叶	Ginkgo Leaf	Ginkgo biloba
柴胡	root of Chinese Thorowax	Radix Bupleuri
大花红景天	Bigflower Rhodiola	Rhodiola crenulata [Syn. Rhodiola euryphylla]
覆盆子	Rubi Fructus	-
骨节草	Marsh Horsetail	Equisetum palustre
景天三七	Sedum Aizoon L.	-
麻黄	Ephedra	Herba Ephedrae
南蛇藤叶子	Oriental Bittersweet Leaf	Celastrus orbiculatus [Syn. Celastrus articulatus
土荆芥	Mexican Tea	Chenopodium ambrosioides

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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