CAS号:87084-99-9-- - Albanol B-科华智慧

1. 主信息

英文名:	Albanol B
中文名:	-
CAS编号:	87084-99-9
化学分子式：	C₃₄H₂₂O₈
化学分子量：	558.5 g/mol
SMILES：	CC1=CC2=C3C(=C1)C4=C(C=C(C=C4OC3(OC5=C2C=CC(=C5)O)C6=C(C=C(C=C6)O)O)C7=CC8=C(O7)C=C(C=C8)O)O
来源：	-
结构类型：	其他酚类化合物
其它名称或标识：	albanol B

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 64 71 0 1 0 0 0 0 0999 V2000 0.3763 0.2719 -1.1106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 1.0674 -1.4858 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -3.8310 1.2479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 3.0069 -0.4073 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 0.3818 -0.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7288 3.1989 -1.9571 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 3.2376 4.2954 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7045 2.6039 -1.3836 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7113 0.3240 -0.5323 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2682 -1.0886 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -2.1388 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6621 -1.2932 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -1.8293 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 1.1104 0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -0.1405 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4948 -0.6219 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 1.0006 -1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9171 -3.4128 0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1565 -2.5828 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.6312 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0229 -2.6756 0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 -0.2874 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1594 2.4141 0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0706 0.5140 1.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 -0.1096 -0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7933 -1.1457 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6199 2.1119 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3795 -2.3354 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 -5.0000 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6403 1.0094 -1.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0026 2.1163 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 3.1304 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1935 -0.8013 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 1.2304 3.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 2.5386 3.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3322 -1.4191 0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4093 -0.5590 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8331 0.5331 -0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8057 -0.5827 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5541 1.6173 -1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9409 1.5732 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5578 0.4940 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 -4.2775 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 -2.7913 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1336 0.6527 -1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 -0.4947 2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4395 -0.9506 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1154 2.9749 -2.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -3.0074 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8624 -4.9569 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2398 -5.5486 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8516 -5.5627 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7196 0.9986 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 4.1504 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 0.7589 4.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 -4.2583 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4015 -2.3695 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4368 3.9101 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6695 3.0280 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2989 -1.4146 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0635 2.4486 -1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8088 2.6756 5.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6380 0.4751 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6385 2.4193 -1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 21 1 0 0 0 0 3 56 1 0 0 0 0 4 23 1 0 0 0 0 4 58 1 0 0 0 0 5 33 1 0 0 0 0 5 38 1 0 0 0 0 6 31 1 0 0 0 0 6 59 1 0 0 0 0 7 35 1 0 0 0 0 7 62 1 0 0 0 0 8 41 1 0 0 0 0 8 64 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 21 2 0 0 0 0 14 23 2 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 22 2 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 29 1 0 0 0 0 21 28 1 0 0 0 0 22 26 1 0 0 0 0 22 45 1 0 0 0 0 23 32 1 0 0 0 0 24 34 2 0 0 0 0 24 46 1 0 0 0 0 25 30 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 33 1 0 0 0 0 27 31 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 32 35 2 0 0 0 0 32 54 1 0 0 0 0 33 36 2 0 0 0 0 34 35 1 0 0 0 0 34 55 1 0 0 0 0 36 37 1 0 0 0 0 36 57 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 42 2 0 0 0 0 39 60 1 0 0 0 0 40 41 2 0 0 0 0 40 61 1 0 0 0 0 41 42 1 0 0 0 0 42 63 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol

4.2 InChl

InChI=1S/C34H22O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-15,35-39H,1H3

4.3 InChlKey

SMHBZVSVLIBGGO-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CC2=C3C(=C1)C4=C(C=C(C=C4OC3(OC5=C2C=CC(=C5)O)C6=C(C=C(C=C6)O)O)C7=CC8=C(O7)C=C(C=C8)O)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 49 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 6.63783 -4.62149 0 0
M  V30 2 C 6.63398 -3.66393 0 0
M  V30 3 C 7.45857 -3.18386 0 0
M  V30 4 C 7.45928 -2.21981 0 0
M  V30 5 C 6.63003 -1.74591 0 0
M  V30 6 C 5.79017 -2.23039 0 0
M  V30 7 C 5.80473 -3.19003 0 0
M  V30 8 C 4.95597 -1.75366 0 0
M  V30 9 C 4.13211 -2.22932 0 0
M  V30 10 C 3.30825 -1.75366 0 0
M  V30 11 C 3.30825 -0.802344 0 0
M  V30 12 C 4.13211 -0.326687 0 0
M  V30 13 C 4.95597 -0.802344 0 0
M  V30 14 O 5.7841 -0.304586 0 0
M  V30 15 C 6.6183 -0.78132 0 0
M  V30 16 O 7.45233 -0.307031 0 0
M  V30 17 C 8.28158 -0.780935 0 0
M  V30 18 C 8.2867 -1.73479 0 0
M  V30 19 C 9.11532 -2.20728 0 0
M  V30 20 C 9.93882 -1.72592 0 0
M  V30 21 C 9.9337 -0.77207 0 0
M  V30 22 C 9.10508 -0.299576 0 0
M  V30 23 O 10.7619 -0.287983 0 0
M  V30 24 C 6.60663 0.178068 0 0
M  V30 25 C 5.67059 0.388785 0 0
M  V30 26 C 5.38506 1.30477 0 0
M  V30 27 C 6.03556 2.01004 0 0
M  V30 28 C 6.9716 1.79933 0 0
M  V30 29 C 7.25713 0.883339 0 0
M  V30 30 O 5.75003 2.92603 0 0
M  V30 31 O 5.02009 -0.316485 0 0
M  V30 32 C 2.47749 -0.322707 0 0
M  V30 33 C 1.60115 -0.712879 0 0
M  V30 34 C 0.959273 1.01195e-15 0 0
M  V30 35 C 1.43891 0.830755 0 0
M  V30 36 O 2.37722 0.631311 0 0
M  V30 37 C 0.959273 1.66151 0 0
M  V30 38 C -3.08912e-15 1.66151 0 0
M  V30 39 C -0.479637 0.830755 0 0
M  V30 40 C -0 -0 0 0
M  V30 41 O -0.479637 2.49226 0 0
M  V30 42 O 4.13211 -3.18859 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 2 2 3
M  V30 4 1 3 4
M  V30 5 1 4 18
M  V30 6 2 4 5
M  V30 7 1 5 15
M  V30 8 1 5 6
M  V30 9 2 6 7
M  V30 10 1 6 8
M  V30 11 1 8 13
M  V30 12 2 8 9
M  V30 13 1 9 10
M  V30 14 1 9 42
M  V30 15 2 10 11
M  V30 16 1 11 12
M  V30 17 1 11 32
M  V30 18 2 12 13
M  V30 19 1 13 14
M  V30 20 1 14 15
M  V30 21 1 15 16
M  V30 22 1 15 24
M  V30 23 1 16 17
M  V30 24 1 17 22
M  V30 25 2 17 18
M  V30 26 1 18 19
M  V30 27 2 19 20
M  V30 28 1 20 21
M  V30 29 2 21 22
M  V30 30 1 21 23
M  V30 31 1 24 29
M  V30 32 2 24 25
M  V30 33 1 25 26
M  V30 34 1 25 31
M  V30 35 2 26 27
M  V30 36 1 27 28
M  V30 37 1 27 30
M  V30 38 2 28 29
M  V30 39 1 32 36
M  V30 40 2 32 33
M  V30 41 1 33 34
M  V30 42 1 34 40
M  V30 43 2 34 35
M  V30 44 1 35 36
M  V30 45 1 35 37
M  V30 46 2 37 38
M  V30 47 1 38 39
M  V30 48 1 38 41
M  V30 49 2 39 40
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
桑白皮	Cortex Mori	-

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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