CAS号:103773-62-2-灵芝酸C2 - Ganoderic Acid C2-科华智慧

1. 主信息

英文名:	Ganoderic Acid C2
中文名:	灵芝酸C2
CAS编号:	103773-62-2
化学分子式：	C₃₀H₄₆O₇
化学分子量：	518.7 g/mol
SMILES：	CC(CC(=O)CC(C)C(=O)O)C1CC(C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C)O
来源：	赤芝
结构类型：	三萜类
其它名称或标识：	ganoderic acid C2

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%	960	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 83 86 0 1 0 0 0 0 0999 V2000 0.2973 3.0463 0.9007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8335 2.5803 -1.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3017 -0.5189 0.5548 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 -2.9867 0.2064 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -1.3599 -1.2856 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6401 -0.8954 -0.3581 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8361 1.2682 0.2989 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 0.6891 0.6015 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4042 -0.5273 0.0735 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8158 -0.2250 0.6379 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0196 -0.7102 -0.3590 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8529 0.5988 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 1.8424 0.1897 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7150 0.6680 -0.0121 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5033 -0.5977 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 1.3062 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -1.8094 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2854 0.7397 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 1.9110 -0.2810 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9932 1.8048 -0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7628 -1.8048 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9827 -0.9873 0.0212 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6016 0.7383 2.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4635 -0.6172 -1.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 -1.8738 0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8831 -0.4482 0.6897 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2811 -1.7913 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0555 -1.0926 -1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8244 0.7848 -1.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7919 2.0438 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 -0.5657 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 -2.4967 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5312 -0.8580 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8786 -0.5275 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 0.4445 -0.4373 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1662 1.8799 -0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1459 0.3475 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8198 -0.4506 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4594 2.0698 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5128 0.8270 1.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6149 1.5830 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 1.7529 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -1.9191 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2119 -2.6983 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4999 2.5502 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 2.7742 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0486 1.6836 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5125 -1.6999 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4495 -2.8083 0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 -0.7508 -1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1821 1.6205 2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 -0.1300 2.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3484 0.7969 2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 0.1992 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5282 -0.5828 -1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 -1.5504 -1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6851 -0.2822 1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5751 -2.0689 -0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7112 -2.5747 0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0623 -1.2753 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -2.0229 -2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5955 -0.3319 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8927 1.0341 -1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 -0.1699 -2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 1.5476 -2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8846 2.0501 0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5205 2.9378 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3814 2.1501 1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3342 0.5112 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4228 -1.0786 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9819 3.6829 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3757 -2.7689 1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0953 -2.8901 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6984 -3.0393 0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2388 3.4570 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6157 -1.2490 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 -0.1095 1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3981 -1.4829 0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5587 0.1835 -1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 1.9682 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7412 2.5695 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2683 2.2165 0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5978 -0.9534 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 71 1 0 0 0 0 2 19 1 0 0 0 0 2 75 1 0 0 0 0 3 26 1 0 0 0 0 3 76 1 0 0 0 0 4 25 2 0 0 0 0 5 33 2 0 0 0 0 6 37 1 0 0 0 0 6 83 1 0 0 0 0 7 37 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 24 1 0 0 0 0 10 16 1 0 0 0 0 10 22 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 28 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 40 1 0 0 0 0 15 25 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 25 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 26 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 27 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 33 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid

4.2 InChl

InChI=1S/C30H46O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,23+,28+,29-,30+/m1/s1

4.3 InChlKey

RERVSJVGWKIGTJ-RQLZKMEDSA-N

4.4 Canonical SMILES

CC(CC(=O)CC(C)C(=O)O)C1CC(C2(C1(CC(=O)C3=C2C(CC4C3(CCC(C4(C)C)O)C)O)C)C)O

4.5 lsomeric SMILES

C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 37 40 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.38783 -4.8842 0 0
M  V30 2 C 4.23332 -4.39573 0 0
M  V30 3 C 5.0791 -4.88372 0 0
M  V30 4 C 5.07938 -5.86018 0 0
M  V30 5 O 4.23388 -6.34865 0 0
M  V30 6 C 5.92515 -6.34816 0 0
M  V30 7 C 5.92543 -7.32462 0 0
M  V30 8 C 5.07994 -7.81309 0 0
M  V30 9 C 6.77121 -7.8126 0 0
M  V30 10 O 6.77148 -8.78906 0 0
M  V30 11 O 7.6167 -7.32413 0 0
M  V30 12 C 4.23305 -3.41928 0 0
M  V30 13 C 5.07825 -2.93031 0 0
M  V30 14 C 5.07797 -1.95345 0 0
M  V30 15 C 3.38609 -1.95394 0 0
M  V30 16 C 3.38637 -2.9308 0 0
M  V30 17 C 2.53998 -3.41976 0 0
M  V30 18 C 1.69331 -2.93128 0 0
M  V30 19 O 0.827427 -3.43153 0 0
M  V30 20 C 1.69303 -1.95442 0 0
M  V30 21 C 2.53942 -1.46545 0 0
M  V30 22 C 2.53914 -0.488001 0 0
M  V30 23 C 1.69247 0.00048332 0 0
M  V30 24 C 0.846079 -0.488484 0 0
M  V30 25 C 0.846359 -1.46594 0 0
M  V30 26 C 0.000558262 -1.9549 0 0
M  V30 27 C -0.845521 -1.46642 0 0
M  V30 28 C -0.8458 -0.488967 0 0
M  V30 29 C 0 -0 0 0
M  V30 30 C -0.00028557 1 0 0
M  V30 31 C -0.866025 0.5 0 0
M  V30 32 O -1.71183 0.0110327 0 0
M  V30 33 C 0.846644 -2.46594 0 0
M  V30 34 O 3.40502 0.0122542 0 0
M  V30 35 C 3.38666 -3.9308 0 0
M  V30 36 C 3.38581 -0.953936 0 0
M  V30 37 O 5.78488 -1.24614 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 2 12
M  V30 4 1 3 4
M  V30 5 2 4 5
M  V30 6 1 4 6
M  V30 7 1 6 7
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 2 9 10
M  V30 11 1 9 11
M  V30 12 1 12 16
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 1 14 37
M  V30 17 1 15 21
M  V30 18 1 15 16
M  V30 19 1 15 36
M  V30 20 1 16 17
M  V30 21 1 16 35
M  V30 22 1 17 18
M  V30 23 2 18 19
M  V30 24 1 18 20
M  V30 25 1 20 25
M  V30 26 2 20 21
M  V30 27 1 21 22
M  V30 28 1 22 23
M  V30 29 1 22 34
M  V30 30 1 23 24
M  V30 31 1 24 29
M  V30 32 1 24 25
M  V30 33 1 25 26
M  V30 34 1 25 33
M  V30 35 1 26 27
M  V30 36 1 27 28
M  V30 37 1 28 29
M  V30 38 1 28 32
M  V30 39 1 29 30
M  V30 40 1 29 31
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
灵芝	Lucid Ganoderma	Ganoderma Lucidum seu Japonicum

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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