CAS号:173075-45-1-灵芝酸DM - Ganoderic acid DM-科华智慧

1. 主信息

英文名:	Ganoderic acid DM
中文名:	灵芝酸DM
CAS编号:	173075-45-1
化学分子式：	C₃₀H₄₄O₄
化学分子量：	468.7 g/mol
SMILES：	CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=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-dioxolanosta-8,24-dien-26-oic acid ganoderic acid DM

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≥97%	2304	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 78 81 0 1 0 0 0 0 0999 V2000 -2.0128 -3.0530 0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 1.0739 -1.9403 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7064 0.3196 -1.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7646 -1.6379 -0.6433 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5599 0.3397 0.7596 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1531 -0.8525 0.0253 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0506 -0.0432 0.6069 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5872 -2.0424 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 -0.6992 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 1.6444 0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7778 0.7365 0.2744 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0487 -1.5704 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 0.5299 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4911 -0.5094 -0.3538 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3877 1.8057 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0469 0.6895 1.4976 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2023 0.4440 2.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.9421 -1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0477 -0.4391 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0136 -1.7854 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2602 1.9853 -0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 -1.9292 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0455 0.9415 1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7711 2.1506 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4703 0.1456 1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4408 0.9350 -1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9546 2.1985 1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4824 -1.5094 -1.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8730 -0.6844 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 0.2818 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3256 -0.2879 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4272 0.3709 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5035 1.8375 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6700 -0.4445 -0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 0.1479 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 -2.9560 0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -2.2897 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 1.6808 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5486 2.5358 0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 -1.8443 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6997 -2.0703 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0953 -0.5625 -1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 2.3751 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6502 2.4339 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8294 0.5077 2.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 -0.3891 2.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 1.3646 2.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 0.4527 2.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 -0.0798 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 -1.0306 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -1.8311 -1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 -2.6673 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 -1.8209 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9089 1.9219 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 2.9009 -0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.0900 2.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5089 1.8198 2.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0952 1.1150 2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0309 3.0197 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1757 2.3313 0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1657 0.6881 1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 -0.9036 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 2.6556 1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8662 2.6919 1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 2.4498 0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9503 -1.3815 -2.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3013 -2.5270 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5542 -1.4414 -1.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9448 -0.7079 0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6271 -1.6419 1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7554 0.1031 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 -0.2948 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8754 1.3207 -0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 -1.3557 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7285 1.9909 -2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5851 2.3837 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2928 2.3111 -0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5351 -0.1990 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 26 2 0 0 0 0 3 34 1 0 0 0 0 3 78 1 0 0 0 0 4 34 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 35 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 13 2 0 0 0 0 9 22 1 0 0 0 0 10 15 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 25 1 0 0 0 0 16 27 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 26 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 30 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 32 2 0 0 0 0 31 74 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid

4.2 InChl

InChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-11-16-30(7)25-21(12-15-29(20,30)6)28(5)14-13-24(32)27(3,4)23(28)17-22(25)31/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10+/t18-,20-,23+,28-,29-,30+/m1/s1

4.3 InChlKey

ZTKZZRIVAYGFSF-PIPDTRPPSA-N

4.4 Canonical SMILES

CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)C)C

4.5 lsomeric SMILES

C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[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 34 37 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.38517 -4.88037 0 0
M  V30 2 C 4.23 -4.39229 0 0
M  V30 3 C 5.07512 -4.87989 0 0
M  V30 4 C 5.07539 -5.85558 0 0
M  V30 5 C 5.92051 -6.34318 0 0
M  V30 6 C 5.92078 -7.31887 0 0
M  V30 7 C 5.07595 -7.80696 0 0
M  V30 8 C 6.7659 -7.80648 0 0
M  V30 9 O 6.76617 -8.78217 0 0
M  V30 10 O 7.61073 -7.31839 0 0
M  V30 11 C 4.22973 -3.4166 0 0
M  V30 12 C 5.07427 -2.92801 0 0
M  V30 13 C 5.07399 -1.95192 0 0
M  V30 14 C 3.38344 -1.9524 0 0
M  V30 15 C 3.38372 -2.9285 0 0
M  V30 16 C 2.53799 -3.41708 0 0
M  V30 17 C 1.69198 -2.92898 0 0
M  V30 18 C 1.6917 -1.95289 0 0
M  V30 19 C 2.53743 -1.4643 0 0
M  V30 20 C 2.53715 -0.487618 0 0
M  V30 21 O 3.40304 0.0126293 0 0
M  V30 22 C 1.69114 0.000482941 0 0
M  V30 23 C 0.845416 -0.488101 0 0
M  V30 24 C 0.845695 -1.46479 0 0
M  V30 25 C 0.000557825 -1.95337 0 0
M  V30 26 C -0.844858 -1.46527 0 0
M  V30 27 C -0.845137 -0.488584 0 0
M  V30 28 O -1.71138 0.0110451 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 C 0.84598 -2.46479 0 0
M  V30 33 C 3.384 -3.9285 0 0
M  V30 34 C 3.38315 -0.952404 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 11
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 2 8 9
M  V30 10 1 8 10
M  V30 11 1 11 15
M  V30 12 1 11 12
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 19
M  V30 16 1 14 15
M  V30 17 1 14 34
M  V30 18 1 15 16
M  V30 19 1 15 33
M  V30 20 1 16 17
M  V30 21 1 17 18
M  V30 22 1 18 24
M  V30 23 2 18 19
M  V30 24 1 19 20
M  V30 25 2 20 21
M  V30 26 1 20 22
M  V30 27 1 22 23
M  V30 28 1 23 29
M  V30 29 1 23 24
M  V30 30 1 24 25
M  V30 31 1 24 32
M  V30 32 1 25 26
M  V30 33 1 26 27
M  V30 34 2 27 28
M  V30 35 1 27 29
M  V30 36 1 29 30
M  V30 37 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

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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