CAS号:87085-00-5-桑呋喃G - Albanol A-科华智慧

1. 主信息

英文名:	Albanol A
中文名:	桑呋喃G
CAS编号:	87085-00-5
化学分子式：	C₃₄H₂₆O₈
化学分子量：	562.6 g/mol
SMILES：	CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(C=C(C=C8)O)O
来源：	桑
结构类型：	其他酚类化合物
其它名称或标识：	albanol A mulberrofuran G

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	5mg	HPLC≥95%	3600	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 68 75 0 1 0 0 0 0 0999 V2000 -2.9461 0.2330 1.6069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7756 0.2426 0.6654 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3813 -1.7142 -3.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.3036 2.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2462 4.0279 3.2157 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0578 0.6473 0.4224 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7313 -5.7631 2.3175 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2372 1.9880 2.4311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 -0.2347 -0.7849 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8409 1.2681 -1.1356 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7919 -0.9342 -1.8428 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0768 -0.3883 0.6321 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5762 1.3957 -2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4938 2.0029 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 -0.6803 -1.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2228 -0.5616 -3.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0428 0.4609 -3.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9743 -1.8104 1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4902 1.4476 1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0876 -0.1091 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -1.0507 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 3.2755 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5002 0.7266 -4.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 0.1522 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0899 2.1222 2.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9668 -2.2027 1.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 -2.7401 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0197 -0.8056 -2.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 -0.1956 -1.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6501 3.9527 0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6699 3.3728 2.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -3.5323 2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8188 -4.0698 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8111 -4.4658 1.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7978 0.0631 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -0.1561 -1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0111 0.3265 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4091 0.8096 0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4099 0.4081 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1063 1.3753 1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1386 0.9727 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4962 1.4466 1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6947 -0.6484 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8511 1.7306 -1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9401 -2.0180 -1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4786 2.4250 -2.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6491 1.2019 -2.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9318 -1.2167 -4.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0528 3.7619 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5923 0.6769 -5.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0951 0.0009 -5.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 1.7229 -5.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 0.6165 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0967 1.6729 3.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -2.4871 -0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 -1.1090 -2.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0874 4.9332 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0998 -3.8421 3.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 -4.7915 0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3235 -2.3564 -3.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -1.7593 3.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5952 4.8790 2.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0428 -0.6054 -2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 -5.8597 2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 0.0437 -1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5906 1.7376 2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2211 1.0388 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 2.2649 3.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 60 1 0 0 0 0 4 26 1 0 0 0 0 4 61 1 0 0 0 0 5 31 1 0 0 0 0 5 62 1 0 0 0 0 6 35 1 0 0 0 0 6 38 1 0 0 0 0 7 34 1 0 0 0 0 7 64 1 0 0 0 0 8 42 1 0 0 0 0 8 68 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 44 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 45 1 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 19 2 0 0 0 0 14 22 1 0 0 0 0 15 20 1 0 0 0 0 15 21 2 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 17 23 1 0 0 0 0 18 26 2 0 0 0 0 18 27 1 0 0 0 0 19 25 1 0 0 0 0 20 24 2 0 0 0 0 21 28 1 0 0 0 0 22 30 2 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 29 1 0 0 0 0 24 53 1 0 0 0 0 25 31 2 0 0 0 0 25 54 1 0 0 0 0 26 32 1 0 0 0 0 27 33 2 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 35 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 32 34 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 63 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 41 2 0 0 0 0 39 65 1 0 0 0 0 40 42 2 0 0 0 0 40 66 1 0 0 0 0 41 42 1 0 0 0 0 41 67 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),4,6,11,14,16,18-heptaene-5,15-diol

4.2 InChl

InChI=1S/C34H26O8/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/h2-7,9-15,23-24,33,35-39H,8H2,1H3

4.3 InChlKey

MJJWBJFYYRAYKU-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CC2C3C(C1)C4=C(C=C(C=C4)O)OC3(OC5=CC(=CC(=C25)O)C6=CC7=C(O6)C=C(C=C7)O)C8=C(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 5.66545 6.29553 0 0
M  V30 2 C 5.66416 5.33797 0 0
M  V30 3 C 4.83701 4.86233 0 0
M  V30 4 C 4.83113 3.8983 0 0
M  V30 5 C 5.65782 3.41995 0 0
M  V30 6 C 6.50027 3.89992 0 0
M  V30 7 C 6.49085 4.85962 0 0
M  V30 8 C 7.3319 3.41872 0 0
M  V30 9 C 7.32679 2.46742 0 0
M  V30 10 C 8.14809 1.98735 0 0
M  V30 11 C 8.97449 2.45858 0 0
M  V30 12 C 8.9796 3.40988 0 0
M  V30 13 C 8.1583 3.88995 0 0
M  V30 14 O 9.80266 1.97449 0 0
M  V30 15 O 6.49601 1.97411 0 0
M  V30 16 C 5.66438 2.45531 0 0
M  V30 17 O 4.82781 1.98551 0 0
M  V30 18 C 4.00112 2.46385 0 0
M  V30 19 C 3.17505 1.98692 0 0
M  V30 20 C 2.34897 2.46385 0 0
M  V30 21 C 2.34897 3.41772 0 0
M  V30 22 C 3.17505 3.89465 0 0
M  V30 23 C 4.00112 3.41772 0 0
M  V30 24 O 3.17505 4.85393 0 0
M  V30 25 C 1.51822 1.98422 0 0
M  V30 26 C 1.41795 1.0302 0 0
M  V30 27 C 0.479637 0.830755 0 0
M  V30 28 C 1.83084e-17 1.66151 0 0
M  V30 29 O 0.641879 2.37439 0 0
M  V30 30 C -0.959273 1.66151 0 0
M  V30 31 C -1.43891 0.830755 0 0
M  V30 32 C -0.959273 -2.1221e-16 0 0
M  V30 33 C -0 -0 0 0
M  V30 34 O -2.39818 0.830755 0 0
M  V30 35 C 5.6709 1.49588 0 0
M  V30 36 C 6.25861 0.737482 0 0
M  V30 37 C 5.89567 -0.150683 0 0
M  V30 38 C 4.94503 -0.280453 0 0
M  V30 39 C 4.35732 0.477943 0 0
M  V30 40 C 4.72026 1.36611 0 0
M  V30 41 O 4.58209 -1.16862 0 0
M  V30 42 O 7.20925 0.867251 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 23
M  V30 6 1 4 5
M  V30 7 1 5 16
M  V30 8 1 5 6
M  V30 9 1 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 15
M  V30 15 2 10 11
M  V30 16 1 11 12
M  V30 17 1 11 14
M  V30 18 2 12 13
M  V30 19 1 15 16
M  V30 20 1 16 17
M  V30 21 1 16 35
M  V30 22 1 17 18
M  V30 23 1 18 23
M  V30 24 2 18 19
M  V30 25 1 19 20
M  V30 26 2 20 21
M  V30 27 1 20 25
M  V30 28 1 21 22
M  V30 29 2 22 23
M  V30 30 1 22 24
M  V30 31 1 25 29
M  V30 32 2 25 26
M  V30 33 1 26 27
M  V30 34 1 27 33
M  V30 35 2 27 28
M  V30 36 1 28 29
M  V30 37 1 28 30
M  V30 38 2 30 31
M  V30 39 1 31 32
M  V30 40 1 31 34
M  V30 41 2 32 33
M  V30 42 1 35 40
M  V30 43 2 35 36
M  V30 44 1 36 37
M  V30 45 1 36 42
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

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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