CAS号:29106-36-3-松脂素二甲醚 - (+)-Eudesmin-科华智慧

1. 主信息

英文名:	(+)-Eudesmin
中文名:	松脂素二甲醚
CAS编号:	29106-36-3
化学分子式：	C₂₂H₂₆O₆
化学分子量：	386.4 g/mol
SMILES：	COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC
来源：	-
结构类型：	-
其它名称或标识：	eudesmin

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	10mg	HPLC≥98%	512	点击购买	2-8℃	现货	-
科华智慧	20mg	HPLC≥98%	896	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 54 57 0 1 0 0 0 0 0999 V2000 -0.9775 1.6432 -0.5355 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9771 -1.6432 -0.5357 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9048 -1.7366 -0.8772 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 1.7364 -0.8772 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0221 0.2737 0.6839 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0220 -0.2736 0.6841 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6379 -0.3987 0.6664 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6382 0.3989 0.6661 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4678 0.2911 -0.4247 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4677 -0.2913 -0.4250 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1708 1.7928 0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 -1.7927 0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9489 0.2830 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9488 -0.2831 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7584 -0.7322 -0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7585 0.7321 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5117 1.2916 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5117 -1.2915 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1266 -0.7391 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1266 0.7390 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 1.2849 0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8799 -1.2848 0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6874 0.2695 0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6874 -0.2694 0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4861 -1.5177 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 1.5175 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5154 1.3401 1.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 -1.3399 1.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1473 -0.3740 1.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1477 0.3745 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2998 -0.1653 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2998 0.1650 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 2.3353 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 2.3916 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 -2.3348 1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9293 -2.3917 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3262 -1.5221 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 1.5218 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 2.0868 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9007 -2.0868 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2455 2.0981 1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -2.0980 1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -1.3868 -2.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1429 -0.6422 -2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0821 -2.3966 -2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7063 1.3864 -2.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1432 0.6421 -2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0823 2.3963 -2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 1.3171 2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5935 1.1857 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3835 2.3115 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5934 -1.1855 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3836 -2.3113 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -1.3168 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 23 1 0 0 0 0 5 27 1 0 0 0 0 6 24 1 0 0 0 0 6 28 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 29 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 17 39 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

4.2 InChl

InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1

4.3 InChlKey

PEUUVVGQIVMSAW-RZTYQLBFSA-N

4.4 Canonical SMILES

COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC)OC)OC

4.5 lsomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)OC)OC)OC

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 28 31 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -5.48024 1.2332 0 0
M  V30 2 O -4.81111 1.97635 0 0
M  V30 3 C -3.83297 1.76844 0 0
M  V30 4 C -3.52395 0.81738 0 0
M  V30 5 C -2.5458 0.609469 0 0
M  V30 6 C -1.87667 1.35261 0 0
M  V30 7 C -2.18569 2.30367 0 0
M  V30 8 C -3.16384 2.51158 0 0
M  V30 9 C -0.898523 1.1447 0 0
M  V30 10 C -0.491786 0.231156 0 0
M  V30 11 C -0.699698 -0.746991 0 0
M  V30 12 O 0.166327 -1.24699 0 0
M  V30 13 C 0.909472 -0.577861 0 0
M  V30 14 C 0.502736 0.335685 0 0
M  V30 15 C 0.710647 1.31383 0 0
M  V30 16 O -0.155378 1.81383 0 0
M  V30 17 C -0.866025 -0.5 0 0
M  V30 18 C -1.73205 -6.66134e-16 0 0
M  V30 19 C -1.73205 1 0 0
M  V30 20 C -0.866025 1.5 0 0
M  V30 21 C -5.55112e-16 1 0 0
M  V30 22 C 0 -0 0 0
M  V30 23 O -0.866025 2.5 0 0
M  V30 24 C 2.22045e-16 3 0 0
M  V30 25 O -2.59808 1.5 0 0
M  V30 26 C -3.34122 0.830869 0 0
M  V30 27 O -4.19308 0.0742354 0 0
M  V30 28 C -3.88406 -0.876821 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 27
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 6 9
M  V30 10 2 7 8
M  V30 11 1 9 16
M  V30 12 1 9 10
M  V30 13 1 10 14
M  V30 14 1 10 11
M  V30 15 1 11 12
M  V30 16 1 12 13
M  V30 17 1 13 14
M  V30 18 1 13 17
M  V30 19 1 14 15
M  V30 20 1 15 16
M  V30 21 1 17 22
M  V30 22 2 17 18
M  V30 23 1 18 19
M  V30 24 2 19 20
M  V30 25 1 19 25
M  V30 26 1 20 21
M  V30 27 1 20 23
M  V30 28 2 21 22
M  V30 29 1 23 24
M  V30 30 1 25 26
M  V30 31 1 27 28
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
刺五加	Manypr ickle Acanthopana x	Acanthopanax senticosus [Syn. Eleutherococcus sent
玳玳花	Citrus Aurantium	-
杜仲	Eucommia bark	Cortex Eucommiae
蜂胶	Propolis	Apis mellifera ligustica
玉兰	Biond Magnolia	Magnolia biondii [Syn. Magnolia fargesii]

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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