CAS号:102841-43-0-桑皮苷C - Mulberroside C-科华智慧

1. 主信息

英文名:	Mulberroside C
中文名:	桑皮苷C
CAS编号:	102841-43-0
化学分子式：	C₂₄H₂₆O₉
化学分子量：	458.5 g/mol
SMILES：	CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)OC5C(C(C(CO5)O)O)O)O)O)C
来源：	桑海南大风子奶桑长穗桑滇桑
结构类型：	二苯乙烯类
其它名称或标识：	(2S,3R,4S,5R)-2-(3-hydroxy-5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro(3,2-g)chromen-2-yl)phenoxy)oxane-3,4,5-triol mulberroside C

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	HPLC≥98%	1152	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 59 63 0 1 0 0 0 0 0999 V2000 6.1459 0.5060 0.4945 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 -1.4084 -0.6603 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1953 -1.0794 -1.7378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3857 0.9045 -0.8875 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1392 -1.7848 0.2982 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4962 1.5805 0.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8324 0.7753 0.5747 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2486 -3.9706 0.8829 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1549 4.8742 0.5446 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 -0.5273 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9724 -1.6290 -0.4358 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5758 -2.2409 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5263 -1.1741 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 -1.6208 0.5762 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8648 0.1154 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2730 -0.3426 -0.1145 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9787 -2.8381 0.0646 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4950 0.1804 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0738 -1.0900 2.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7473 -0.2330 -0.1055 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4797 -2.5747 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 -1.4982 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 -0.5097 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 1.1177 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5801 0.7587 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7857 -0.4461 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4143 0.8413 -0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 1.5385 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 1.5536 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 0.8761 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8917 2.8852 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 2.8972 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1107 3.5628 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7209 -2.4181 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4908 -2.9380 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -2.7971 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6556 -1.5388 1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6556 -0.3082 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2997 -3.0776 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5532 0.7039 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6336 0.9499 1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 -0.5259 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2185 -0.2913 2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 -1.5300 2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8407 -1.8541 2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3943 -0.0925 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1029 -2.4760 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9445 -3.4224 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -2.5000 -0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 2.1209 0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 -0.3321 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1374 -1.2511 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5964 -0.9898 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5026 1.5798 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2116 -4.1059 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9909 -0.1645 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 3.4342 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2386 3.4188 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0766 5.1820 0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 11 1 0 0 0 0 3 51 1 0 0 0 0 4 20 1 0 0 0 0 4 29 1 0 0 0 0 5 14 1 0 0 0 0 5 53 1 0 0 0 0 6 25 1 0 0 0 0 6 27 1 0 0 0 0 7 16 1 0 0 0 0 7 54 1 0 0 0 0 8 17 1 0 0 0 0 8 55 1 0 0 0 0 9 33 1 0 0 0 0 9 59 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

(2S,3R,4S,5R)-2-[3-hydroxy-5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)phenoxy]oxane-3,4,5-triol

4.2 InChl

InChI=1S/C24H26O9/c1-24(2)20(27)7-12-3-11-6-17(32-18(11)9-19(12)33-24)13-4-14(25)8-15(5-13)31-23-22(29)21(28)16(26)10-30-23/h3-6,8-9,16,20-23,25-29H,7,10H2,1-2H3/t16-,20?,21+,22-,23+/m1/s1

4.3 InChlKey

OHVJCFZJKPEJRL-BOWLQXBNSA-N

4.4 Canonical SMILES

CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)OC5C(C(C(CO5)O)O)O)O)O)C

4.5 lsomeric SMILES

CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 33 37 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 7.54678 1.93448 0 0
M  V30 2 C 6.68075 1.43448 0 0
M  V30 3 C 7.18075 0.568459 0 0
M  V30 4 C 6.68075 -0.297566 0 0
M  V30 5 C 5.68075 -0.297566 0 0
M  V30 6 C 5.18075 0.568459 0 0
M  V30 7 O 5.68075 1.43448 0 0
M  V30 8 C 4.18075 0.568459 0 0
M  V30 9 C 3.68075 -0.297566 0 0
M  V30 10 C 4.18075 -1.16359 0 0
M  V30 11 C 5.18075 -1.16359 0 0
M  V30 12 C 3.51162 -1.90674 0 0
M  V30 13 C 2.59808 -1.5 0 0
M  V30 14 O 2.7026 -0.505478 0 0
M  V30 15 C 1.73205 -2 0 0
M  V30 16 C 1.73205 -3 0 0
M  V30 17 C 0.866025 -3.5 0 0
M  V30 18 C 6.66134e-16 -3 0 0
M  V30 19 C 8.88178e-16 -2 0 0
M  V30 20 C 0.866025 -1.5 0 0
M  V30 21 O -0.866025 -1.5 0 0
M  V30 22 C -0.866025 -0.5 0 0
M  V30 23 C -1.73205 -1.66533e-15 0 0
M  V30 24 C -1.73205 1 0 0
M  V30 25 C -0.866025 1.5 0 0
M  V30 26 C -1.72085e-15 1 0 0
M  V30 27 O 0 -0 0 0
M  V30 28 O -0.866025 2.5 0 0
M  V30 29 O -2.59808 1.5 0 0
M  V30 30 O -2.59808 -0.5 0 0
M  V30 31 O 0.866025 -4.5 0 0
M  V30 32 O 8.18075 0.568459 0 0
M  V30 33 C 6.68075 2.43448 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 1 2 3
M  V30 4 1 2 33
M  V30 5 1 3 4
M  V30 6 1 3 32
M  V30 7 1 4 5
M  V30 8 1 5 11
M  V30 9 2 5 6
M  V30 10 1 6 7
M  V30 11 1 6 8
M  V30 12 2 8 9
M  V30 13 1 9 14
M  V30 14 1 9 10
M  V30 15 2 10 11
M  V30 16 1 10 12
M  V30 17 2 12 13
M  V30 18 1 13 14
M  V30 19 1 13 15
M  V30 20 1 15 20
M  V30 21 2 15 16
M  V30 22 1 16 17
M  V30 23 2 17 18
M  V30 24 1 17 31
M  V30 25 1 18 19
M  V30 26 2 19 20
M  V30 27 1 19 21
M  V30 28 1 21 22
M  V30 29 1 22 27
M  V30 30 1 22 23
M  V30 31 1 23 24
M  V30 32 1 23 30
M  V30 33 1 24 25
M  V30 34 1 24 29
M  V30 35 1 25 26
M  V30 36 1 25 28
M  V30 37 1 26 27
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
大风子	Hydnocarpi Anthelminticae Semen	-
桑白皮	Cortex Mori	-
桑枝	Mulberry Twig	Ramulus Mori
月季花	Chinese rose flower	Flos Rosae chinensis

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