CAS号:102841-46-3-桑辛素P - (-)-Moracin P-科华智慧

1. 主信息

英文名:	(-)-Moracin P
中文名:	桑辛素P
CAS编号:	102841-46-3
化学分子式：	C₁₉H₁₈O₅
化学分子量：	326.3 g/mol
SMILES：	CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C
来源：	桑
结构类型：	其他化合物
其它名称或标识：	moracin P

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%	3200	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 42 45 0 1 0 0 0 0 0999 V2000 -3.7403 -1.2735 -0.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1694 0.6410 -1.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 -0.7387 -0.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5152 -2.7424 -0.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3844 1.9384 0.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0204 -0.6979 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1825 0.7147 -0.3101 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0626 1.6467 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7297 0.9503 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6459 -0.4471 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1902 -0.7051 1.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0649 -1.6534 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5549 1.7267 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3039 1.0876 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4082 -1.1022 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 -0.2975 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 1.5048 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 0.3605 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2228 0.1006 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1284 1.1589 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6887 -1.2104 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0602 -1.4631 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4999 0.9061 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9658 -0.4048 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1531 1.1392 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2378 1.9756 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0347 2.5361 -0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0935 -1.7233 2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1689 -0.3121 2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4175 -0.1154 2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9717 -2.6559 0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9168 -1.7795 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0850 -1.2957 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 2.8093 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3335 -2.1814 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3247 1.5380 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 2.5210 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 2.1872 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0041 -2.0534 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0348 -0.6017 -0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7544 -3.3469 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8907 2.7739 0.1914 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 36 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 22 1 0 0 0 0 4 41 1 0 0 0 0 5 23 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 24 40 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-[(6R)-6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl]benzene-1,3-diol

4.2 InChl

InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1

4.3 InChlKey

QFUCSEIKNTUPPA-GOSISDBHSA-N

4.4 Canonical SMILES

CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C

4.5 lsomeric SMILES

CC1([C@@H](CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 27 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 7.50294 -0.366025 0 0
M  V30 2 C 6.50294 -0.366025 0 0
M  V30 3 C 6.50294 -1.36603 0 0
M  V30 4 C 5.63692 -1.86603 0 0
M  V30 5 C 4.77089 -1.36603 0 0
M  V30 6 C 4.77089 -0.366025 0 0
M  V30 7 O 5.63692 0.133975 0 0
M  V30 8 C 3.90487 0.133975 0 0
M  V30 9 C 3.03884 -0.366025 0 0
M  V30 10 C 3.03884 -1.36603 0 0
M  V30 11 C 3.90487 -1.86603 0 0
M  V30 12 C 2.08779 -1.67504 0 0
M  V30 13 C 1.5 -0.866025 0 0
M  V30 14 O 2.08779 -0.0570084 0 0
M  V30 15 C 0.5 -0.866025 0 0
M  V30 16 C 4.44089e-16 -1.73205 0 0
M  V30 17 C -1 -1.73205 0 0
M  V30 18 C -1.5 -0.866025 0 0
M  V30 19 C -1 -8.32667e-16 0 0
M  V30 20 C 0 -0 0 0
M  V30 21 O -1.5 0.866025 0 0
M  V30 22 O -1.5 -2.59808 0 0
M  V30 23 O 7.36897 -1.86603 0 0
M  V30 24 C 7.00294 0.5 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 2 24
M  V30 5 1 3 4
M  V30 6 1 3 23
M  V30 7 1 4 5
M  V30 8 1 5 11
M  V30 9 2 5 6
M  V30 10 1 6 7
M  V30 11 1 6 8
M  V30 12 2 8 9
M  V30 13 1 9 14
M  V30 14 1 9 10
M  V30 15 2 10 11
M  V30 16 1 10 12
M  V30 17 2 12 13
M  V30 18 1 13 14
M  V30 19 1 13 15
M  V30 20 1 15 20
M  V30 21 2 15 16
M  V30 22 1 16 17
M  V30 23 2 17 18
M  V30 24 1 17 22
M  V30 25 1 18 19
M  V30 26 2 19 20
M  V30 27 1 19 21
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