CAS号:135357-25-4-ganosporeric acid A - (2R,6R)-2-methyl-4-oxo-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid-科华智慧

1. 主信息

英文名:	(2R,6R)-2-methyl-4-oxo-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
中文名:	ganosporeric acid A
CAS编号:	135357-25-4
化学分子式：	C₃₀H₃₈O₈
化学分子量：	526.6 g/mol
SMILES：	CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(=O)C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C
来源：	合成化合物
结构类型：	-
其它名称或标识：	3,7,11,12,15,23-hexanoxo-5 alpha-lanosta-8-en-26-oic acid ganosporeric acid A

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
科华智慧	5mg	HPLC≥98%	2800	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 76 79 0 1 0 0 0 0 0999 V2000 0.0060 -3.2661 -0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 2.3867 -1.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -3.0732 0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0753 2.8525 0.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3174 1.0404 -1.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 1.4037 -1.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2451 -0.3257 -0.3669 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4123 -1.6590 -0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 0.1853 -0.0429 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6525 -0.9187 -0.5210 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8231 0.7310 1.2175 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6691 -0.1796 -0.7715 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7987 -0.4886 1.0567 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9819 -0.7380 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 0.4936 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7572 -1.7022 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6433 -0.5460 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -2.1096 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 -1.7859 1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6462 2.0047 0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 1.4946 -0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 0.5236 -0.2900 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5785 0.2275 1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 -1.9465 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 -0.9125 -2.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6851 1.6948 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4144 0.8911 2.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2085 1.9974 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1786 0.8510 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8948 -1.0342 -1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8592 -1.4821 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1733 0.0448 -1.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7817 2.0397 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4611 0.7186 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 0.4848 0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4139 0.4645 0.9478 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8478 0.2610 2.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9891 -0.6234 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 0.0383 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5491 -0.3772 1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 -1.9862 0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 -2.1972 -1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6923 -2.6558 1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 -1.8337 2.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0805 2.9239 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4901 2.0723 1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 0.3090 0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1807 1.0914 1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3524 0.3168 2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -0.6719 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 0.0321 -2.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 -1.0999 -2.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6857 -1.7107 -2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8398 1.8129 2.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 0.9430 3.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 0.0653 3.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4364 1.9015 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 2.9317 -0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5421 -0.9791 -2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0219 -0.4183 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5789 -2.0773 -1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4765 -1.1488 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5072 -1.4996 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5556 -2.5159 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3242 -1.0349 -0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0493 0.2433 -2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 2.4668 0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 2.3269 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7254 2.5456 -0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 1.2820 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4717 -0.4703 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8077 1.4263 0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4901 -0.6991 2.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9399 0.2619 2.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4566 1.0584 3.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6149 -1.0329 -0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 21 2 0 0 0 0 3 24 2 0 0 0 0 4 26 2 0 0 0 0 5 29 2 0 0 0 0 6 34 2 0 0 0 0 7 38 1 0 0 0 0 7 76 1 0 0 0 0 8 38 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 19 24 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 28 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 26 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 34 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 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-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid

4.2 InChl

InChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)/t14-,15-,17-,19?,28+,29+,30+/m1/s1

4.3 InChlKey

AKWNYHCILPEENZ-GESKOEBASA-N

4.4 Canonical SMILES

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

4.5 lsomeric SMILES

C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(C(=O)C(=O)C3=C2C(=O)CC4[C@@]3(CCC(=O)C4(C)C)C)C)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 38 41 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 O 5.78488 -1.24614 0 0
M  V30 16 C 3.38609 -1.95394 0 0
M  V30 17 C 3.38637 -2.9308 0 0
M  V30 18 C 2.53998 -3.41976 0 0
M  V30 19 O 2.54027 -4.41976 0 0
M  V30 20 C 1.69331 -2.93128 0 0
M  V30 21 O 0.827431 -3.43153 0 0
M  V30 22 C 1.69303 -1.95442 0 0
M  V30 23 C 2.53942 -1.46545 0 0
M  V30 24 C 2.53914 -0.488001 0 0
M  V30 25 O 3.40502 0.0122542 0 0
M  V30 26 C 1.69247 0.00048332 0 0
M  V30 27 C 0.846079 -0.488484 0 0
M  V30 28 C 0.846359 -1.46594 0 0
M  V30 29 C 0.000558262 -1.9549 0 0
M  V30 30 C -0.845521 -1.46642 0 0
M  V30 31 C -0.8458 -0.488967 0 0
M  V30 32 O -1.71204 0.0106617 0 0
M  V30 33 C 0 -0 0 0
M  V30 34 C -0.00028557 1 0 0
M  V30 35 C -0.866025 0.5 0 0
M  V30 36 C 0.846644 -2.46594 0 0
M  V30 37 C 3.38666 -3.9308 0 0
M  V30 38 C 3.38581 -0.953936 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 23
M  V30 18 1 16 17
M  V30 19 1 16 38
M  V30 20 1 17 18
M  V30 21 1 17 37
M  V30 22 2 18 19
M  V30 23 1 18 20
M  V30 24 2 20 21
M  V30 25 1 20 22
M  V30 26 1 22 28
M  V30 27 2 22 23
M  V30 28 1 23 24
M  V30 29 2 24 25
M  V30 30 1 24 26
M  V30 31 1 26 27
M  V30 32 1 27 33
M  V30 33 1 27 28
M  V30 34 1 28 29
M  V30 35 1 28 36
M  V30 36 1 29 30
M  V30 37 1 30 31
M  V30 38 2 31 32
M  V30 39 1 31 33
M  V30 40 1 33 34
M  V30 41 1 33 35
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