CAS号:88915-64-4-罗汉果皂苷Ive - Mogroside IV-科华智慧

1. 主信息

英文名:	Mogroside IV
中文名:	罗汉果皂苷Ive
CAS编号:	88915-64-4
化学分子式：	C₅₄H₉₂O₂₄
化学分子量：	1125.3 g/mol
SMILES：	CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)C3CCC4(C3(CC(C5(C4CC=C6C5CCC(C6(C)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)O)C)C
来源：	罗汉果
结构类型：	三萜类
其它名称或标识：	mogroside IV

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%	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

补充中

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4. 国际命名与标识

4.1 IUPAC Name

2-[[6-[[17-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C54H92O24/c1-22(9-13-33(51(4,5)70)77-49-45(41(66)36(61)28(20-57)74-49)78-48-44(69)39(64)35(60)27(19-56)73-48)23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)40(65)37(62)29(75-47)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3

4.3 InChlKey

WRPAFPPCKSYACJ-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)C3CCC4(C3(CC(C5(C4CC=C6C5CCC(C6(C)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)O)C)C

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 78 85 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -5.61594 0.159847 0 0
M  V30 2 C -4.6378 -0.0480648 0 0
M  V30 3 C -3.96867 0.69508 0 0
M  V30 4 C -4.27768 1.64614 0 0
M  V30 5 C -3.60855 2.38928 0 0
M  V30 6 C -3.91757 3.34034 0 0
M  V30 7 C -3.70966 4.31849 0 0
M  V30 8 C -2.96651 3.64935 0 0
M  V30 9 O -4.89572 3.54825 0 0
M  V30 10 O -2.63041 2.18137 0 0
M  V30 11 C -1.96127 2.92451 0 0
M  V30 12 C -0.983127 2.7166 0 0
M  V30 13 C -0.313997 3.45975 0 0
M  V30 14 C -0.623014 4.4108 0 0
M  V30 15 C -1.60116 4.61872 0 0
M  V30 16 O -2.27029 3.87557 0 0
M  V30 17 C -1.91018 5.56977 0 0
M  V30 18 O -1.24105 6.31292 0 0
M  V30 19 O 0.0461169 5.15395 0 0
M  V30 20 O 0.664151 3.25184 0 0
M  V30 21 O -0.67411 1.76555 0 0
M  V30 22 C 0.304037 1.55763 0 0
M  V30 23 C 0.613054 0.606578 0 0
M  V30 24 C 1.5912 0.398666 0 0
M  V30 25 C 2.26033 1.14181 0 0
M  V30 26 C 1.95132 2.09287 0 0
M  V30 27 O 0.973168 2.30078 0 0
M  V30 28 C 2.62045 2.83601 0 0
M  V30 29 O 2.31143 3.78707 0 0
M  V30 30 O 3.23848 0.933899 0 0
M  V30 31 O 1.90022 -0.55239 0 0
M  V30 32 O -0.0560763 -0.136567 0 0
M  V30 33 C -4.32878 -0.999121 0 0
M  V30 34 C -4.91657 -1.80814 0 0
M  V30 35 C -4.32878 -2.61716 0 0
M  V30 36 C -3.37772 -2.30814 0 0
M  V30 37 C -3.37772 -1.30814 0 0
M  V30 38 C -2.5117 -0.808138 0 0
M  V30 39 C -1.64567 -1.30814 0 0
M  V30 40 C -1.64567 -2.30814 0 0
M  V30 41 C -2.5117 -2.80814 0 0
M  V30 42 C -2.5117 -3.80814 0 0
M  V30 43 C -1.64567 -4.30814 0 0
M  V30 44 C -0.779648 -3.80814 0 0
M  V30 45 C -0.779648 -2.80814 0 0
M  V30 46 C 0.0863778 -2.30814 0 0
M  V30 47 C 0.952403 -2.80814 0 0
M  V30 48 C 0.952403 -3.80814 0 0
M  V30 49 C 0.0863778 -4.30814 0 0
M  V30 50 C 0.586378 -5.17416 0 0
M  V30 51 C -0.413622 -5.17416 0 0
M  V30 52 O 1.81843 -4.30814 0 0
M  V30 53 C 2.68445 -3.80814 0 0
M  V30 54 C 3.55048 -4.30814 0 0
M  V30 55 C 4.4165 -3.80814 0 0
M  V30 56 C 4.4165 -2.80814 0 0
M  V30 57 C 3.55048 -2.30814 0 0
M  V30 58 O 2.68445 -2.80814 0 0
M  V30 59 C 3.55048 -1.30814 0 0
M  V30 60 O 2.68445 -0.808138 0 0
M  V30 61 C 2.68445 0.191862 0 0
M  V30 62 C 3.55048 0.691862 0 0
M  V30 63 C 3.55048 1.69186 0 0
M  V30 64 C 2.68445 2.19186 0 0
M  V30 65 C 1.81843 1.69186 0 0
M  V30 66 O 1.81843 0.691862 0 0
M  V30 67 C 0.952403 2.19186 0 0
M  V30 68 O 0.952403 3.19186 0 0
M  V30 69 O 2.68445 3.19186 0 0
M  V30 70 O 4.4165 2.19186 0 0
M  V30 71 O 4.4165 0.191862 0 0
M  V30 72 O 5.28253 -2.30814 0 0
M  V30 73 O 5.28253 -4.30814 0 0
M  V30 74 O 3.55048 -5.30814 0 0
M  V30 75 C -0.779648 -1.80814 0 0
M  V30 76 O -0.779648 -0.808138 0 0
M  V30 77 C -2.97099 -0.394593 0 0
M  V30 78 C -2.97099 -3.22168 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 33
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 5 10
M  V30 8 1 6 7
M  V30 9 1 6 8
M  V30 10 1 6 9
M  V30 11 1 10 11
M  V30 12 1 11 16
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 12 21
M  V30 16 1 13 14
M  V30 17 1 13 20
M  V30 18 1 14 15
M  V30 19 1 14 19
M  V30 20 1 15 16
M  V30 21 1 15 17
M  V30 22 1 17 18
M  V30 23 1 21 22
M  V30 24 1 22 27
M  V30 25 1 22 23
M  V30 26 1 23 24
M  V30 27 1 23 32
M  V30 28 1 24 25
M  V30 29 1 24 31
M  V30 30 1 25 26
M  V30 31 1 25 30
M  V30 32 1 26 27
M  V30 33 1 26 28
M  V30 34 1 28 29
M  V30 35 1 33 37
M  V30 36 1 33 34
M  V30 37 1 34 35
M  V30 38 1 35 36
M  V30 39 1 36 41
M  V30 40 1 36 37
M  V30 41 1 36 78
M  V30 42 1 37 38
M  V30 43 1 37 77
M  V30 44 1 38 39
M  V30 45 1 39 40
M  V30 46 1 39 76
M  V30 47 1 40 45
M  V30 48 1 40 41
M  V30 49 1 40 75
M  V30 50 1 41 42
M  V30 51 1 42 43
M  V30 52 2 43 44
M  V30 53 1 44 49
M  V30 54 1 44 45
M  V30 55 1 45 46
M  V30 56 1 46 47
M  V30 57 1 47 48
M  V30 58 1 48 49
M  V30 59 1 48 52
M  V30 60 1 49 50
M  V30 61 1 49 51
M  V30 62 1 52 53
M  V30 63 1 53 58
M  V30 64 1 53 54
M  V30 65 1 54 55
M  V30 66 1 54 74
M  V30 67 1 55 56
M  V30 68 1 55 73
M  V30 69 1 56 57
M  V30 70 1 56 72
M  V30 71 1 57 58
M  V30 72 1 57 59
M  V30 73 1 59 60
M  V30 74 1 60 61
M  V30 75 1 61 66
M  V30 76 1 61 62
M  V30 77 1 62 63
M  V30 78 1 62 71
M  V30 79 1 63 64
M  V30 80 1 63 70
M  V30 81 1 64 65
M  V30 82 1 64 69
M  V30 83 1 65 66
M  V30 84 1 65 67
M  V30 85 1 67 68
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