CAS号:27003-73-2-落叶松树脂醇 - Lariciresinol-科华智慧

1. 主信息

英文名:	Lariciresinol
中文名:	落叶松树脂醇
CAS编号:	27003-73-2
化学分子式：	C₂₀H₂₄O₆
化学分子量：	360.4 g/mol
SMILES：	COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O
来源：	-
结构类型：	-
其它名称或标识：	(+)-lariciresinol (-)-lariciresinol 3-furanmethanol, tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-, (2R,3S,4S)- 3-furanmethanol, tetrahydro-2-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-, (2S,3R,4R)- larici-resinol

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%	2560	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 50 52 0 1 0 0 0 0 0999 V2000 0.5534 1.4307 0.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 -3.1017 -1.0417 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0977 -0.6220 1.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7037 1.7911 0.8263 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7842 1.3023 -0.6765 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1233 -0.2703 -0.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7006 -0.8034 -0.5134 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7598 -0.3596 -0.5441 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3355 0.2245 0.4317 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5958 1.1537 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 -0.8487 0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9561 -2.2476 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 0.5092 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 -0.6916 0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.1933 0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 1.4759 -0.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7134 0.4879 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7741 -1.7275 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1318 0.0700 0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 1.7394 -1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4765 1.0362 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0778 0.6339 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1387 -1.5816 -0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7905 -0.4009 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5496 -1.8381 0.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7414 2.8316 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0944 -0.6593 -1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2306 -0.6694 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -0.0879 1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3738 1.5331 -1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4475 1.7192 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -0.3320 1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -1.9117 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6044 -2.4839 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 -2.4733 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 -0.9469 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3764 2.0292 -1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 -2.9147 -1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1733 1.2905 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 -2.6505 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7329 2.4930 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6816 -2.3953 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8309 1.9974 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4474 -1.0838 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 -2.5529 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3206 -2.2679 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9845 -1.6481 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2725 2.5001 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7268 3.1503 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2766 3.6833 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 38 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 26 1 0 0 0 0 5 21 1 0 0 0 0 5 43 1 0 0 0 0 6 24 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 2 0 0 0 0 16 37 1 0 0 0 0 17 22 1 0 0 0 0 17 39 1 0 0 0 0 18 23 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol

4.2 InChl

InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1

4.3 InChlKey

MHXCIKYXNYCMHY-AUSJPIAWSA-N

4.4 Canonical SMILES

COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)OC)O

4.5 lsomeric SMILES

COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 8.18009 -0.681666 0 0
M  V30 2 O 7.31406 -0.181666 0 0
M  V30 3 C 6.44804 -0.681666 0 0
M  V30 4 C 6.44804 -1.68167 0 0
M  V30 5 C 5.58201 -2.18167 0 0
M  V30 6 C 4.71599 -1.68167 0 0
M  V30 7 C 4.71599 -0.681666 0 0
M  V30 8 C 5.58201 -0.181666 0 0
M  V30 9 C 3.84996 -0.181666 0 0
M  V30 10 C 2.98393 -0.681666 0 0
M  V30 11 C 2.87941 -1.67619 0 0
M  V30 12 O 1.90126 -1.8841 0 0
M  V30 13 C 1.40126 -1.01807 0 0
M  V30 14 C 2.07039 -0.274929 0 0
M  V30 15 C 1.86248 0.703219 0 0
M  V30 16 O 0.911421 1.01224 0 0
M  V30 17 C 0.406737 -0.913545 0 0
M  V30 18 C -0.181049 -1.72256 0 0
M  V30 19 C -1.17557 -1.61803 0 0
M  V30 20 C -1.58231 -0.704489 0 0
M  V30 21 C -0.994522 0.104528 0 0
M  V30 22 C -0 -0 0 0
M  V30 23 O -2.57683 -0.59996 0 0
M  V30 24 O -1.76336 -2.42705 0 0
M  V30 25 C -2.75788 -2.32252 0 0
M  V30 26 O 7.31406 -2.18167 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 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 4 26
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 7 9
M  V30 11 1 9 10
M  V30 12 1 10 14
M  V30 13 1 10 11
M  V30 14 1 11 12
M  V30 15 1 12 13
M  V30 16 1 13 14
M  V30 17 1 13 17
M  V30 18 1 14 15
M  V30 19 1 15 16
M  V30 20 1 17 22
M  V30 21 2 17 18
M  V30 22 1 18 19
M  V30 23 2 19 20
M  V30 24 1 19 24
M  V30 25 1 20 21
M  V30 26 1 20 23
M  V30 27 2 21 22
M  V30 28 1 24 25
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
白木香	Chinese Eaglewood	Aquilaria sinensis
板蓝根	Root of Dyers Woad.	Radix Isatidis seu Baphicacanthi
杜仲叶	Eucommiae Folium	-
红海椒	Sweet Pepper Equivalent plant: Capsicum frutescens	Capsicum annuum
黄芪	root of Membranous Milkvetch	Radix Astragali
鸡矢藤	Paederiae Scandentis Herba	-
辣椒	Hot pepper	fructus Capsici
连钱草	Glechomae Herba	-
连翘	Weeping Forsythia Capsule	Fructus Forsythiae
蒙古黄芪	Mongolian Milkvetch	Astragalus mongholicus

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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