CAS号:87530-30-1-Lusianthridin - 7-Methoxy-9,10-dihydrophenanthrene-2,5-diol-科华智慧

1. 主信息

英文名:	7-Methoxy-9,10-dihydrophenanthrene-2,5-diol
中文名:	Lusianthridin
CAS编号:	87530-30-1
化学分子式：	C₁₅H₁₄O₃
化学分子量：	242.27 g/mol
SMILES：	COC1=CC2=C(C3=C(CC2)C=C(C=C3)O)C(=C1)O
来源：	合成化合物
结构类型：	-
其它名称或标识：	4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthrene lusianthridin

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%	1800	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 32 34 0 0 0 0 0 0 0999 V2000 -0.8059 -2.4753 -0.3235 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5487 0.3627 0.0585 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 -0.4242 0.0128 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 2.4005 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2041 2.2590 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 1.1839 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 0.9398 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3846 -0.0962 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 -0.2137 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3722 1.3295 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 -1.2022 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2812 0.8602 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -1.4240 0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 0.2155 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 -1.0477 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9197 -0.3532 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 -1.4923 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3323 -0.8226 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 3.3030 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1168 2.5246 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 3.0955 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 2.3138 -1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8156 2.3163 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8742 1.7495 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 -2.3418 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -1.9431 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6484 -2.4445 0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 -3.0874 -0.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5481 -1.3406 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3839 -0.5193 -0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1711 -1.5082 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1714 -1.3055 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 28 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 16 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 23 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 17 27 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

7-methoxy-9,10-dihydrophenanthrene-2,5-diol

4.2 InChl

InChI=1S/C15H14O3/c1-18-12-7-10-3-2-9-6-11(16)4-5-13(9)15(10)14(17)8-12/h4-8,16-17H,2-3H2,1H3

4.3 InChlKey

RDKDIPDDUFMMMT-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC2=C(C3=C(CC2)C=C(C=C3)O)C(=C1)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 18 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.59808 -0.5 0 0
M  V30 2 O 1.73205 -6.66134e-16 0 0
M  V30 3 C 0.866025 -0.5 0 0
M  V30 4 C 0.866025 -1.5 0 0
M  V30 5 C 5.55112e-16 -2 0 0
M  V30 6 C -0.866025 -1.5 0 0
M  V30 7 C -1.73205 -2 0 0
M  V30 8 C -1.73205 -3 0 0
M  V30 9 C -0.866025 -3.5 0 0
M  V30 10 C -2.22045e-16 -3 0 0
M  V30 11 C -2.59808 -3.5 0 0
M  V30 12 C -3.4641 -3 0 0
M  V30 13 C -3.4641 -2 0 0
M  V30 14 C -2.59808 -1.5 0 0
M  V30 15 O -4.33013 -3.5 0 0
M  V30 16 C -0.866025 -0.5 0 0
M  V30 17 C -0 -0 0 0
M  V30 18 O -1.73205 1.11022e-16 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 17
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 5 10
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 6 16
M  V30 10 1 7 14
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 8 11
M  V30 14 1 9 10
M  V30 15 2 11 12
M  V30 16 1 12 13
M  V30 17 1 12 15
M  V30 18 2 13 14
M  V30 19 2 16 17
M  V30 20 1 16 18
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
白及	Bletilla Striata (Thunb.Ex A.Murray)Rchb.F.	-
黄药子	rhizome of Airpotato Yam	Rhizoma Dioscoreae bulbiferae
密花石斛	Denseflower Dendrobium	Dendrobium densiflorum

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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