CAS号:860-79-7-环维黄杨星D - Cyclovirobuxine D-科华智慧

1. 主信息

英文名:	Cyclovirobuxine D
中文名:	环维黄杨星D
CAS编号:	860-79-7
化学分子式：	C₂₆H₄₆N₂O
化学分子量：	402.7 g/mol
SMILES：	CC(C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)NC)C)C)O)NC
来源：	-
结构类型：	其他生物碱类
其它名称或标识：	CVB-D cyclovirobuxine D cyclovirobuxine-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	20mg	T≥99%	60	点击购买	2-8℃	现货	-
科华智慧	1g	≥98%	499	点击购买	2-8℃	现货	-
科华智慧	5g	≥98%	1459	点击购买	2-8℃	现货	-
科华智慧	25g	≥98%	3840	点击购买	2-8℃	现货	-
科华智慧	100g	≥98%	9600	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 75 79 0 1 0 0 0 0 0999 V2000 -4.7586 -2.1145 0.8749 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 0.6855 -0.0553 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2523 0.4177 0.0249 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5171 0.4323 -0.0464 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0697 0.4570 0.0447 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3755 0.8451 -1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2022 -0.9306 -0.2245 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8327 -0.8708 0.1683 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6429 -0.9225 0.3502 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2474 1.5553 0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 0.3652 -0.1418 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7725 1.5728 0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6522 -2.1042 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 -2.0728 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 1.5763 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3081 -0.7478 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -2.0362 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8519 0.0408 0.2394 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2046 1.7505 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0019 0.4405 0.3881 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9947 -1.4550 -0.1256 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6075 -1.0904 1.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2892 0.6199 -1.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0882 -2.0502 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 -0.5497 -1.9033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9394 0.9001 -0.4000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7686 2.3688 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0117 1.6928 0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3123 1.2240 -0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 0.1830 -2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 1.8889 -1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3001 -1.0916 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9225 -1.0476 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1078 2.5332 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 1.5166 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 1.3368 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 2.5328 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 -3.0515 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7711 -2.0817 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5445 -3.0081 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9451 -2.0502 -1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1916 1.6739 1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 2.5108 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -2.9781 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3195 -2.2508 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 0.1534 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1938 2.1276 -0.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 2.5389 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 0.1504 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4951 -1.6112 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -0.4064 2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5793 -0.9393 2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 -2.1060 2.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 0.7783 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6976 -0.2093 -2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 1.5234 -1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -2.2632 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 -2.9139 -0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1293 -2.0037 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 -1.3684 -2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8774 0.3857 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 -0.5268 -2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8935 0.8093 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 -0.1743 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5681 -1.6050 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5926 3.0042 -0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 2.5055 1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9066 2.8145 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3779 -0.5357 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0925 1.6651 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8626 1.5154 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 2.7075 0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4645 2.1636 -0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2575 0.6768 -0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1604 1.4195 -1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 65 1 0 0 0 0 2 20 1 0 0 0 0 2 28 1 0 0 0 0 2 64 1 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 3 69 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 10 15 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 23 1 0 0 0 0 12 19 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 21 1 0 0 0 0 18 26 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

(1S,3R,6S,8R,11S,12S,14R,15S,16R)-7,7,12,16-tetramethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol

4.2 InChl

InChI=1S/C26H46N2O/c1-16(27-6)21-17(29)14-24(5)19-9-8-18-22(2,3)20(28-7)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h16-21,27-29H,8-15H2,1-7H3/t16-,17+,18-,19-,20-,21-,23+,24-,25+,26-/m0/s1

4.3 InChlKey

GMNAPBAUIVITMI-ABNIRSKTSA-N

4.4 Canonical SMILES

CC(C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)NC)C)C)O)NC

4.5 lsomeric SMILES

C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)NC)C)C)O)NC

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 33 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.49819 -5.0354 0 0
M  V30 2 C 4.22165 -4.38362 0 0
M  V30 3 C 4.22138 -3.40985 0 0
M  V30 4 C 5.06425 -2.92223 0 0
M  V30 5 C 5.06398 -1.94807 0 0
M  V30 6 C 3.37676 -1.94855 0 0
M  V30 7 C 3.37704 -2.92272 0 0
M  V30 8 C 2.53298 -3.41034 0 0
M  V30 9 C 1.68864 -2.9232 0 0
M  V30 10 C 1.68836 -1.94903 0 0
M  V30 11 C 2.53242 -1.46141 0 0
M  V30 12 C 2.53214 -0.486655 0 0
M  V30 13 C 1.68781 0.000481988 0 0
M  V30 14 C 0.843747 -0.487138 0 0
M  V30 15 C 0.844025 -1.46189 0 0
M  V30 16 C 0.844321 -2.43668 0 0
M  V30 17 C 0.000556723 -1.94951 0 0
M  V30 18 C -0.84319 -1.46238 0 0
M  V30 19 C -0.843469 -0.487619 0 0
M  V30 20 C -0 -0 0 0
M  V30 21 C -0.000286095 1.00184 0 0
M  V30 22 C -0.867617 0.500919 0 0
M  V30 23 N -1.68722 -0.000481819 0 0
M  V30 24 C -2.66149 -0.000481819 0 0
M  V30 25 C 3.37732 -3.92272 0 0
M  V30 26 C 3.37648 -0.94855 0 0
M  V30 27 O 5.93057 -3.42173 0 0
M  V30 28 N 5.14785 -4.68426 0 0
M  V30 29 C 5.35057 -5.63669 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 28
M  V30 4 1 3 7
M  V30 5 1 3 4
M  V30 6 1 4 5
M  V30 7 1 4 27
M  V30 8 1 5 6
M  V30 9 1 6 11
M  V30 10 1 6 7
M  V30 11 1 6 26
M  V30 12 1 7 8
M  V30 13 1 7 25
M  V30 14 1 8 9
M  V30 15 1 9 10
M  V30 16 1 10 15
M  V30 17 1 10 16
M  V30 18 1 10 11
M  V30 19 1 11 12
M  V30 20 1 12 13
M  V30 21 1 13 14
M  V30 22 1 14 20
M  V30 23 1 14 15
M  V30 24 1 15 16
M  V30 25 1 15 17
M  V30 26 1 17 18
M  V30 27 1 18 19
M  V30 28 1 19 20
M  V30 29 1 19 23
M  V30 30 1 20 21
M  V30 31 1 20 22
M  V30 32 1 23 24
M  V30 33 1 28 29
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

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

回顶

6. 相关药材

中文名称	英文名称	拉丁文名称
黄杨木叶	Chinese Box Juvenile Leaf	Buxus microphylla var. sinica
锦熟黄杨	European Boxwood	Buxus sempervirens
马来西亚黄杨木	Malaysian Box	Buxus malaiana
小叶黄杨	Small-leaved Box	Buxus microphylla
银白黄杨	Argentine Box	Buxus argentea

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型