CAS号:60546-10-3-戈米辛D - CID 75130910-科华智慧

1. 主信息

英文名:	CID 75130910
中文名:	戈米辛D
CAS编号:	60546-10-3
化学分子式：	C₂₈H₃₄O₁₀
化学分子量：	530.6 g/mol
SMILES：	CC1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C(C1(C)O)OC(=O)C(C(CO4)C)(C)O)OC)OC)OC)OCO3
来源：	五味子
结构类型：	木质素类
其它名称或标识：	gomisin D

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%	1200	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 72 76 0 1 0 0 0 0 0999 V2000 -0.5656 2.0115 -0.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1633 3.8824 1.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -1.0882 -1.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 3.0711 -2.9321 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5221 -2.4821 -0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8928 -2.3562 2.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2714 -2.8510 -0.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2955 2.2966 -2.3291 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 0.0131 -1.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8158 -2.5223 -1.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7466 2.5572 1.8446 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1518 1.7286 2.8192 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7732 2.0975 0.3502 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2260 0.2323 2.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.8203 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6612 -0.6013 2.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1779 2.7424 2.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3803 -0.7444 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9762 -0.4675 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2094 2.3509 4.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0749 1.9097 -2.0876 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1683 0.6413 -3.0033 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3986 -1.2374 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 -1.1246 2.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 0.9516 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 2.0972 -1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7688 -1.5789 -0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3755 -0.6958 -2.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 -1.8124 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7292 -1.7613 1.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6278 -0.1603 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 -1.4286 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1581 2.0112 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2879 0.7804 -4.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3875 -2.8189 0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4873 -3.5154 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9382 0.0050 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -2.9537 -2.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 1.8137 2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2605 2.9174 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 -0.1090 3.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2852 0.0416 2.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 3.3072 3.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 3.3385 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 1.7921 2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 2.2421 4.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9784 1.8533 4.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4666 3.4139 4.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 0.5583 -3.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7422 4.4585 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 -1.0285 3.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.9415 -0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2886 -0.6157 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5478 -1.4981 -2.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 1.2257 -0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1584 1.9709 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0947 2.9747 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 0.8951 -3.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3295 -0.1075 -4.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 1.6365 -4.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 2.9868 -3.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4974 -3.9086 0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3724 -2.3723 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7797 -4.3461 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3329 -2.8519 2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 -3.9208 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8947 0.1513 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9638 -0.9554 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 0.8206 0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 -3.8377 -2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1148 -2.1723 -3.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7192 -3.2239 -2.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 50 1 0 0 0 0 3 23 1 0 0 0 0 3 28 1 0 0 0 0 4 21 1 0 0 0 0 4 61 1 0 0 0 0 5 29 1 0 0 0 0 5 35 1 0 0 0 0 6 30 1 0 0 0 0 6 35 1 0 0 0 0 7 27 1 0 0 0 0 7 36 1 0 0 0 0 8 26 2 0 0 0 0 9 31 1 0 0 0 0 9 37 1 0 0 0 0 10 32 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 25 2 0 0 0 0 16 18 1 0 0 0 0 16 24 2 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 27 2 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 33 1 0 0 0 0 22 28 1 0 0 0 0 22 34 1 0 0 0 0 22 49 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 24 51 1 0 0 0 0 25 31 1 0 0 0 0 25 52 1 0 0 0 0 27 32 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 31 32 2 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

12,25-dihydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1,3(7),8(22),16,18,20-hexaen-13-one

4.2 InChl

InChI=1S/C28H34O10/c1-13-8-15-9-18-22(37-12-36-18)24-19(15)20-16(10-17(32-5)21(33-6)23(20)34-7)25(27(13,3)30)38-26(29)28(4,31)14(2)11-35-24/h9-10,13-14,25,30-31H,8,11-12H2,1-7H3

4.3 InChlKey

VLLFEMVDMFTBHG-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C(C1(C)O)OC(=O)C(C(CO4)C)(C)O)OC)OC)OC)OCO3

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 42 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.44912 -1.23229 0 0
M  V30 2 C 4.09239 -0.371085 0 0
M  V30 3 C 3.16023 -0.371085 0 0
M  V30 4 C 2.50109 0.288054 0 0
M  V30 5 C 1.69382 -0.178027 0 0
M  V30 6 C 0.88654 0.288054 0 0
M  V30 7 C 0.88654 1.22022 0 0
M  V30 8 C 1.69382 1.6863 0 0
M  V30 9 C 2.50109 1.22022 0 0
M  V30 10 C 3.16023 1.87936 0 0
M  V30 11 C 2.69415 2.68663 0 0
M  V30 12 C 3.16023 3.49391 0 0
M  V30 13 C 4.09239 3.49391 0 0
M  V30 14 C 4.55848 2.68663 0 0
M  V30 15 C 4.09239 1.87936 0 0
M  V30 16 C 4.75153 1.22022 0 0
M  V30 17 C 4.75153 0.288054 0 0
M  V30 18 C 5.67572 0.409726 0 0
M  V30 19 O 5.319 -0.45148 0 0
M  V30 20 O 4.87642 2.03953 0 0
M  V30 21 C 4.57492 2.81152 0 0
M  V30 22 O 5.32585 3.36381 0 0
M  V30 23 C 3.92782 3.32933 0 0
M  V30 24 C 3.1085 3.45422 0 0
M  V30 25 C 2.33651 3.15271 0 0
M  V30 26 O 1.8187 2.50561 0 0
M  V30 27 C 3.00567 4.38069 0 0
M  V30 28 C 3.82499 4.2558 0 0
M  V30 29 O 5.42969 4.43391 0 0
M  V30 30 O 4.55848 4.30119 0 0
M  V30 31 C 4.09239 5.10846 0 0
M  V30 32 O 2.22807 5.10846 0 0
M  V30 33 C 2.69415 5.91574 0 0
M  V30 34 O 0.829825 2.68663 0 0
M  V30 35 C 0.363743 1.87936 0 0
M  V30 36 O 1.1384e-15 1.50827 0 0
M  V30 37 C -0.547912 0.754136 0 0
M  V30 38 O 0 0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 17
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 9
M  V30 6 2 4 5
M  V30 7 1 5 6
M  V30 8 1 6 38
M  V30 9 2 6 7
M  V30 10 1 7 8
M  V30 11 1 7 36
M  V30 12 1 8 26
M  V30 13 2 8 9
M  V30 14 1 9 10
M  V30 15 1 10 15
M  V30 16 2 10 11
M  V30 17 1 11 12
M  V30 18 1 11 34
M  V30 19 2 12 13
M  V30 20 1 12 32
M  V30 21 1 13 14
M  V30 22 1 13 30
M  V30 23 2 14 15
M  V30 24 1 15 16
M  V30 25 1 16 17
M  V30 26 1 16 20
M  V30 27 1 17 18
M  V30 28 1 17 19
M  V30 29 1 20 21
M  V30 30 2 21 22
M  V30 31 1 21 23
M  V30 32 1 23 24
M  V30 33 1 23 28
M  V30 34 1 23 29
M  V30 35 1 24 25
M  V30 36 1 24 27
M  V30 37 1 25 26
M  V30 38 1 30 31
M  V30 39 1 32 33
M  V30 40 1 34 35
M  V30 41 1 36 37
M  V30 42 1 37 38
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
北五味子	Schisandrae Chinensis Fructus	-
五味子	Chinese Magnoliavine Equivalent plant: Schisandra	Schisandra chinensis

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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