CAS号:108340-60-9-灵芝酸D - Ganoderic Acid D-科华智慧

1. 主信息

英文名:	Ganoderic Acid D
中文名:	灵芝酸D
CAS编号:	108340-60-9
化学分子式：	C₃₀H₄₂O₇
化学分子量：	514.6 g/mol
SMILES：	CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(CC(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)C)C
来源：	赤芝
结构类型：	三萜类
其它名称或标识：	ganoderic acid 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%	1400	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 79 82 0 1 0 0 0 0 0999 V2000 -1.7435 2.6879 -1.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 3.0811 0.7233 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0704 -2.9404 0.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7822 -1.1604 -0.4044 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5174 -1.2980 -1.7677 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2455 2.0660 -0.2403 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5973 0.5764 -1.2914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 -0.3610 -0.0234 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3398 0.7012 0.7591 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9074 -0.7054 -0.1539 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9471 -0.0639 0.4312 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7686 0.6470 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6453 0.6630 0.0974 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3903 -0.5569 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0246 -1.7428 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 1.4705 0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4761 1.9525 -0.0312 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5998 1.9061 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8967 1.8122 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1831 0.6576 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5626 -1.7583 0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -1.8253 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 -0.7453 -0.3534 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3820 -0.2065 -1.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4095 0.5189 2.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0387 -1.2006 -1.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0243 -1.5167 1.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7499 -0.7280 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9055 1.6555 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5413 1.0401 -1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 -0.3577 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 -2.2666 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5921 -1.0172 -0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 -1.3475 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4939 -0.0799 0.7796 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7330 -0.4125 1.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8497 0.8550 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -0.3601 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5549 0.8489 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 -2.5184 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -2.0219 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6802 1.8711 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3594 1.8323 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5003 2.5484 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 1.6807 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4155 2.7653 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5006 -2.7564 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0034 -1.8210 1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 -0.4392 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 0.7752 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6415 -0.3292 -1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9722 -0.9627 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5752 0.5482 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 1.3351 2.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8913 -0.4166 2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6975 -0.4505 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0662 -1.4757 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 -2.1013 -1.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5349 -2.4733 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0974 -0.9616 2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9906 1.6268 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7315 1.4202 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5709 2.6834 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0722 0.3848 -2.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2486 2.0696 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 0.9767 -1.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 -0.6480 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 0.7236 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -2.8032 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.6103 0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 -2.6147 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 2.1271 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5568 -2.0330 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5302 -1.8872 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7847 0.4398 1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4845 -0.9379 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1983 0.5025 1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4709 -1.0457 2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4803 2.6681 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 72 1 0 0 0 0 2 18 2 0 0 0 0 3 22 2 0 0 0 0 4 28 2 0 0 0 0 5 33 2 0 0 0 0 6 37 1 0 0 0 0 6 79 1 0 0 0 0 7 37 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 10 26 1 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 11 38 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 39 1 0 0 0 0 14 22 1 0 0 0 0 15 22 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 27 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(6R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

4.2 InChl

InChI=1S/C30H42O7/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/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,28+,29-,30+/m1/s1

4.3 InChlKey

YTVGSCZIHGRVAV-IYAQLQCNSA-N

4.4 Canonical SMILES

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

4.5 lsomeric SMILES

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

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 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 C 1.69331 -2.93128 0 0
M  V30 20 O 0.827431 -3.43153 0 0
M  V30 21 C 1.69303 -1.95442 0 0
M  V30 22 C 2.53942 -1.46545 0 0
M  V30 23 C 2.53914 -0.488001 0 0
M  V30 24 C 1.69247 0.00048332 0 0
M  V30 25 C 0.846079 -0.488484 0 0
M  V30 26 C 0.846359 -1.46594 0 0
M  V30 27 C 0.000558262 -1.9549 0 0
M  V30 28 C -0.845521 -1.46642 0 0
M  V30 29 C -0.8458 -0.488967 0 0
M  V30 30 O -1.71204 0.0106617 0 0
M  V30 31 C 0 -0 0 0
M  V30 32 C -0.00028557 1 0 0
M  V30 33 C -0.866025 0.5 0 0
M  V30 34 C 0.846644 -2.46594 0 0
M  V30 35 O 3.40502 0.0122542 0 0
M  V30 36 C 3.38666 -3.9308 0 0
M  V30 37 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 22
M  V30 18 1 16 17
M  V30 19 1 16 37
M  V30 20 1 17 18
M  V30 21 1 17 36
M  V30 22 1 18 19
M  V30 23 2 19 20
M  V30 24 1 19 21
M  V30 25 1 21 26
M  V30 26 2 21 22
M  V30 27 1 22 23
M  V30 28 1 23 24
M  V30 29 1 23 35
M  V30 30 1 24 25
M  V30 31 1 25 31
M  V30 32 1 25 26
M  V30 33 1 26 27
M  V30 34 1 26 34
M  V30 35 1 27 28
M  V30 36 1 28 29
M  V30 37 2 29 30
M  V30 38 1 29 31
M  V30 39 1 31 32
M  V30 40 1 31 33
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