CAS号:193483-95-3-桑皮苷F - Mulberroside F-科华智慧

1. 主信息

英文名:	Mulberroside F
中文名:	桑皮苷F
CAS编号:	193483-95-3
化学分子式：	C₂₆H₃₀O₁₄
化学分子量：	566.5 g/mol
SMILES：	C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)OC(=C2)C4=CC(=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)O
来源：	桑
结构类型：	二苯乙烯类
其它名称或标识：	-

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%	1600	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 70 74 0 1 0 0 0 0 0999 V2000 -4.2232 -1.1599 -0.1966 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -1.6327 0.2269 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4725 0.8754 -1.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5824 0.0460 1.2392 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2735 -1.4740 0.4064 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4578 -3.0964 1.9644 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6335 -3.9987 -0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 -4.5476 -1.7957 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0604 1.1423 -0.1967 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9313 -1.1021 0.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3585 -2.8212 0.9517 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8523 -2.1688 -0.8656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 1.6878 -0.1314 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 4.7715 0.9288 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9396 -1.0811 0.7332 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0812 -2.3436 0.8144 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6825 -2.9984 -0.6610 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2996 -3.6492 -0.6918 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4147 -0.1230 -0.3362 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5961 -1.9856 0.9081 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2036 -2.5895 -0.8279 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7324 -1.8522 0.3495 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9074 0.0910 -0.1997 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5433 -0.9072 0.1776 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7122 -3.2284 0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8101 -3.2044 -0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3976 1.6945 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 1.2832 0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1765 1.1355 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 1.4273 0.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 2.0258 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 3.0733 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 2.6952 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2239 3.4034 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 2.4071 1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8519 2.8434 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4614 3.9440 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 3.9232 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 3.8191 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 3.6751 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9980 -0.5850 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2679 -2.9732 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9742 -2.6530 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 -4.2392 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6601 -0.4944 -1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 -1.4424 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2828 -2.0609 -1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -2.2439 1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6922 0.6311 0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 -0.3816 -0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 -3.8989 1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8418 -3.7720 -0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6554 -3.6881 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6431 -3.9334 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2573 -1.9035 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -2.5515 2.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 -4.3137 0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3441 -4.0315 -2.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8515 1.4919 0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 -0.7414 -0.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8137 -3.6259 0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0263 -2.5801 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0319 0.0700 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1132 0.5445 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5004 3.4845 -1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9376 2.2943 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5872 5.0133 -1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3606 4.9625 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6598 4.8153 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 5.5641 0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 15 1 0 0 0 0 5 55 1 0 0 0 0 6 16 1 0 0 0 0 6 56 1 0 0 0 0 7 17 1 0 0 0 0 7 57 1 0 0 0 0 8 18 1 0 0 0 0 8 58 1 0 0 0 0 9 19 1 0 0 0 0 9 59 1 0 0 0 0 10 22 1 0 0 0 0 10 60 1 0 0 0 0 11 25 1 0 0 0 0 11 61 1 0 0 0 0 12 26 1 0 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 36 1 0 0 0 0 14 40 1 0 0 0 0 14 70 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 20 25 1 0 0 0 0 20 46 1 0 0 0 0 21 26 1 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 32 1 0 0 0 0 28 30 2 0 0 0 0 28 35 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 33 1 0 0 0 0 30 64 1 0 0 0 0 31 34 2 0 0 0 0 32 37 2 0 0 0 0 32 65 1 0 0 0 0 33 36 1 0 0 0 0 33 39 2 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 35 40 2 0 0 0 0 35 66 1 0 0 0 0 36 38 2 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-benzofuran-6-yl]oxy]oxane-3,4,5-triol

4.2 InChl

InChI=1S/C26H30O14/c27-8-17-19(30)21(32)23(34)25(39-17)36-13-2-1-10-5-15(38-16(10)7-13)11-3-12(29)6-14(4-11)37-26-24(35)22(33)20(31)18(9-28)40-26/h1-7,17-35H,8-9H2/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1

4.3 InChlKey

YPMOTUXWPXDQDJ-PCIRLDFKSA-N

4.4 Canonical SMILES

C1=CC2=C(C=C1OC3C(C(C(C(O3)CO)O)O)O)OC(=C2)C4=CC(=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)O

4.5 lsomeric SMILES

C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=C2)C4=CC(=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 40 44 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.20243 3.08268 0 0
M  V30 2 C 3.33641 2.58268 0 0
M  V30 3 C 3.33641 1.58268 0 0
M  V30 4 C 4.20243 1.08268 0 0
M  V30 5 C 5.06846 1.58268 0 0
M  V30 6 C 5.06846 2.58268 0 0
M  V30 7 O 5.93448 3.08268 0 0
M  V30 8 C 6.80051 2.58268 0 0
M  V30 9 C 7.66654 3.08268 0 0
M  V30 10 C 8.53256 2.58268 0 0
M  V30 11 C 8.53256 1.58268 0 0
M  V30 12 C 7.66654 1.08268 0 0
M  V30 13 O 6.80051 1.58268 0 0
M  V30 14 C 7.66654 0.0826761 0 0
M  V30 15 O 8.53256 -0.417324 0 0
M  V30 16 O 9.39859 1.08268 0 0
M  V30 17 O 9.39859 3.08268 0 0
M  V30 18 O 7.66654 4.08268 0 0
M  V30 19 O 3.99452 0.104528 0 0
M  V30 20 C 3 1.11022e-16 0 0
M  V30 21 C 2.59326 0.913545 0 0
M  V30 22 C 2.5 -0.866025 0 0
M  V30 23 C 3 -1.73205 0 0
M  V30 24 C 2.5 -2.59808 0 0
M  V30 25 C 1.5 -2.59808 0 0
M  V30 26 C 1 -1.73205 0 0
M  V30 27 C 1.5 -0.866025 0 0
M  V30 28 O 7.49401e-16 -1.73205 0 0
M  V30 29 C -0.5 -0.866025 0 0
M  V30 30 C -1.5 -0.866025 0 0
M  V30 31 C -2 -2.22045e-15 0 0
M  V30 32 C -1.5 0.866025 0 0
M  V30 33 C -0.5 0.866025 0 0
M  V30 34 O 0 -0 0 0
M  V30 35 C -1.77636e-15 1.73205 0 0
M  V30 36 O -0.5 2.59808 0 0
M  V30 37 O -2 1.73205 0 0
M  V30 38 O -3 -2.72005e-15 0 0
M  V30 39 O -2 -1.73205 0 0
M  V30 40 O 3 -3.4641 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 1 3 21
M  V30 5 2 3 4
M  V30 6 1 4 5
M  V30 7 1 4 19
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 1 7 8
M  V30 11 1 8 13
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 9 18
M  V30 15 1 10 11
M  V30 16 1 10 17
M  V30 17 1 11 12
M  V30 18 1 11 16
M  V30 19 1 12 13
M  V30 20 1 12 14
M  V30 21 1 14 15
M  V30 22 1 19 20
M  V30 23 2 20 21
M  V30 24 1 20 22
M  V30 25 1 22 27
M  V30 26 2 22 23
M  V30 27 1 23 24
M  V30 28 2 24 25
M  V30 29 1 24 40
M  V30 30 1 25 26
M  V30 31 2 26 27
M  V30 32 1 26 28
M  V30 33 1 28 29
M  V30 34 1 29 34
M  V30 35 1 29 30
M  V30 36 1 30 31
M  V30 37 1 30 39
M  V30 38 1 31 32
M  V30 39 1 31 38
M  V30 40 1 32 33
M  V30 41 1 32 37
M  V30 42 1 33 34
M  V30 43 1 33 35
M  V30 44 1 35 36
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