CAS号:98665-15-7-灵芝酸F - ganoderic acid F-科华智慧

1. 主信息

英文名:	ganoderic acid F
中文名:	灵芝酸F
CAS编号:	98665-15-7
化学分子式：	C₃₂H₄₂O₉
化学分子量：	570.7 g/mol
SMILES：	CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)OC(=O)C)C)C
来源：	灵芝
结构类型：	-
其它名称或标识：	ganoderic acid F

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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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 -0.6866 2.6549 -0.1084 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 -2.7769 2.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8025 2.4293 -0.9658 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -2.7730 1.8808 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 0.0877 -0.8101 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9496 1.7338 -0.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3586 4.4677 0.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6823 -3.3360 -0.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9474 -2.3959 -2.4531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 0.4240 0.8419 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4643 -0.4876 1.6339 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7883 0.4587 1.7725 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5397 0.0770 -0.8591 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7131 -0.7046 0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 1.7658 0.6134 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4031 -1.0725 -0.2189 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2308 0.2495 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 -1.0113 2.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 -1.5870 2.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 1.0034 1.1913 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8211 -1.3556 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.1869 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4388 1.5512 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 -2.3201 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 1.3358 -0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9574 0.0631 3.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4649 -1.9936 0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0675 -0.2111 -2.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7852 1.1430 -1.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5622 -0.0239 -1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7595 -0.0583 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 1.4461 2.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8260 -2.1042 -2.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 -2.2086 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7428 0.5242 -0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 3.9890 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 -0.4630 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 4.8030 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7711 -0.9497 -0.8841 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8900 0.0869 -0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 -2.2742 -1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5369 1.0716 2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 2.2166 1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6206 -0.7100 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 -1.0699 3.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -1.6451 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8757 1.8981 0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -1.2249 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 0.4429 -1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 -0.2446 -1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0828 -2.6783 -0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1189 -3.1505 0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 2.1909 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 1.6330 0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5981 0.9451 2.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -0.6963 3.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 0.3232 3.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4389 0.6017 -2.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 -1.1247 -2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 -0.3016 -3.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 0.9981 -2.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 2.0490 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1408 -0.7331 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 -0.7009 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9629 1.8443 1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5589 2.2368 2.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2679 0.6150 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 -2.4388 -2.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5153 -1.4813 -3.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1908 -2.9946 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6783 -1.7357 1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6818 -2.3305 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2355 -3.2168 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7113 0.0159 -2.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8195 -1.2982 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4557 4.5586 -0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 5.8660 -0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2526 4.6096 -1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5961 -1.1211 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6254 1.0115 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8151 -0.2964 -0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1076 0.3347 -2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9688 -4.1895 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 36 1 0 0 0 0 2 19 2 0 0 0 0 3 23 2 0 0 0 0 4 27 2 0 0 0 0 5 30 2 0 0 0 0 6 35 2 0 0 0 0 7 36 2 0 0 0 0 8 41 1 0 0 0 0 8 83 1 0 0 0 0 9 41 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 13 28 1 0 0 0 0 14 17 2 0 0 0 0 14 27 1 0 0 0 0 15 23 1 0 0 0 0 15 43 1 0 0 0 0 16 21 1 0 0 0 0 16 24 1 0 0 0 0 16 44 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 47 1 0 0 0 0 21 30 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 31 35 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

4.2 InChl

InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,27-,30+,31+,32+/m1/s1

4.3 InChlKey

BWCNWXLKMWWVBT-AIMUVTGPSA-N

4.4 Canonical SMILES

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

4.5 lsomeric SMILES

C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)OC(=O)C)C)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 44 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.39511 -4.8947 0 0
M  V30 2 C 4.24242 -4.40518 0 0
M  V30 3 C 5.09002 -4.89422 0 0
M  V30 4 C 5.09029 -5.87277 0 0
M  V30 5 O 4.24298 -6.36229 0 0
M  V30 6 C 5.93789 -6.36181 0 0
M  V30 7 C 5.93817 -7.34036 0 0
M  V30 8 C 5.09085 -7.82988 0 0
M  V30 9 C 6.78576 -7.8294 0 0
M  V30 10 O 6.78604 -8.80795 0 0
M  V30 11 O 7.63307 -7.33988 0 0
M  V30 12 C 4.24214 -3.42663 0 0
M  V30 13 C 5.08917 -2.93661 0 0
M  V30 14 C 5.08889 -1.95765 0 0
M  V30 15 O 5.79731 -1.24882 0 0
M  V30 16 C 3.39337 -1.95814 0 0
M  V30 17 C 3.39365 -2.93709 0 0
M  V30 18 C 2.54544 -3.42711 0 0
M  V30 19 C 1.69695 -2.93758 0 0
M  V30 20 O 0.829209 -3.43891 0 0
M  V30 21 C 1.69667 -1.95862 0 0
M  V30 22 C 2.54488 -1.4686 0 0
M  V30 23 C 2.5446 -0.489049 0 0
M  V30 24 O 3.41234 0.0122806 0 0
M  V30 25 C 1.69611 0.000484359 0 0
M  V30 26 C 0.847898 -0.489534 0 0
M  V30 27 C 0.848178 -1.46909 0 0
M  V30 28 C 0.000559462 -1.9591 0 0
M  V30 29 C -0.847338 -1.46957 0 0
M  V30 30 C -0.847618 -0.490018 0 0
M  V30 31 O -1.71572 0.0106846 0 0
M  V30 32 C 0 -0 0 0
M  V30 33 C -0.000286184 1.00215 0 0
M  V30 34 C -0.867887 0.501075 0 0
M  V30 35 C 0.848464 -2.47124 0 0
M  V30 36 O 2.54572 -4.40669 0 0
M  V30 37 C 1.5876 -4.61063 0 0
M  V30 38 O 1.28516 -5.54236 0 0
M  V30 39 C 0.931926 -3.88285 0 0
M  V30 40 C 3.39394 -3.93709 0 0
M  V30 41 C 3.39309 -0.958136 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 17
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 2 14 15
M  V30 16 1 14 16
M  V30 17 1 16 22
M  V30 18 1 16 17
M  V30 19 1 16 41
M  V30 20 1 17 18
M  V30 21 1 17 40
M  V30 22 1 18 19
M  V30 23 1 18 36
M  V30 24 2 19 20
M  V30 25 1 19 21
M  V30 26 1 21 27
M  V30 27 2 21 22
M  V30 28 1 22 23
M  V30 29 2 23 24
M  V30 30 1 23 25
M  V30 31 1 25 26
M  V30 32 1 26 32
M  V30 33 1 26 27
M  V30 34 1 27 28
M  V30 35 1 27 35
M  V30 36 1 28 29
M  V30 37 1 29 30
M  V30 38 2 30 31
M  V30 39 1 30 32
M  V30 40 1 32 33
M  V30 41 1 32 34
M  V30 42 1 36 37
M  V30 43 2 37 38
M  V30 44 1 37 39
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

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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