CAS号:80681-42-1-5-O-甲维阿斯米醇 - 5-O-Methylvisamminol-科华智慧

1. 主信息

英文名:	5-O-Methylvisamminol
中文名:	5-O-甲维阿斯米醇
CAS编号:	80681-42-1
化学分子式：	C₁₆H₁₈O₅
化学分子量：	290.31 g/mol
SMILES：	CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O)OC
来源：	合成化合物
结构类型：	-
其它名称或标识：	5-O-methylvisamminol

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	5mg	HPLC≥98%	640	2-8°C	现货	-
科华智慧	20mg	HPLC≥98%	2400	2-8°C	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 39 41 0 1 0 0 0 0 0999 V2000 -2.0789 -1.3676 0.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0114 -0.5359 -1.5392 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 2.4844 -0.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6865 -1.8307 0.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 2.1974 -0.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8835 -0.1769 0.5497 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2272 -0.3652 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1142 1.0400 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7412 0.4892 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8002 -0.8866 0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1269 0.8570 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 -1.6279 0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 1.1376 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3355 -1.6734 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 0.3595 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5683 -1.0335 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 0.9907 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -1.2327 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1180 0.0843 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 3.2939 0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0654 -2.2034 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0231 -0.0760 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 1.9116 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 1.3013 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2895 1.0652 1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7076 1.7517 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 0.7011 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9016 -1.7550 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0849 -1.5917 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3526 -2.5303 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.7491 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8784 -0.6429 -1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 0.5199 -0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 3.3060 1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 4.3148 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 2.9356 1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9638 -2.9391 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0722 -2.7362 0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 -1.7095 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 32 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one

4.2 InChl

InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1

4.3 InChlKey

DGFLRNOCLJGHLY-ZDUSSCGKSA-N

4.4 Canonical SMILES

CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O)OC

4.5 lsomeric SMILES

CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O)OC

4.6 SDF文件

补充中

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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
当归	root of Chinese Angelica	Radix Angelicae sinensis
地耳草	all - grass of Japanese St. Johnswort	Herba Hyperici Japonici
防风	root of Divaricate Saposhnikovia	Radix Saposhnikoviae divaricatae
降真香	Odorate Rosewood Equivalent plant: Dalbergia sisso	Dalbergia odorifera
木藤蓼	root of Silvervine Fleeceflower	Radix Polygoni Aubertii
女贞子	fruit of Glossy privet	Fructus Ligustri lucidi
青黛	tural Indigo	Indigo turalis
青天葵	leaf of Ford Nervilia	Herba Nerviliae
天葵子	Muskroot-like Semiaquilegia Root	Radix Semiaquilegiae
铁棒锤叶	Leaf of Pendulous Monkshood	Folium Aconiti Szechenyiani

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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