CAS号:1707161-17-8-11-去氧罗汉果皂苷V - (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10S,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-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-科华智慧

1. 主信息

英文名:	(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10S,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-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
中文名:	11-去氧罗汉果皂苷V
CAS编号:	1707161-17-8
化学分子式：	C₆₀H₁₀₂O₂₈
化学分子量：	1271.4 g/mol
SMILES：	CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CCC6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C
来源：	罗汉果
结构类型：	三萜类
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	5mg	HPLC≥95%	1920	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

(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10S,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-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/C60H102O28/c1-24(9-13-35(57(4,5)78)87-55-50(88-54-49(77)43(71)38(66)30(21-63)83-54)45(73)40(68)32(85-55)23-80-52-47(75)42(70)37(65)29(20-62)82-52)25-15-16-60(8)33-12-10-26-27(58(33,6)17-18-59(25,60)7)11-14-34(56(26,2)3)86-53-48(76)44(72)39(67)31(84-53)22-79-51-46(74)41(69)36(64)28(19-61)81-51/h10,24-25,27-55,61-78H,9,11-23H2,1-8H3/t24-,25-,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1

4.3 InChlKey

FXMONPOKYCDPKD-PKCSIHSOSA-N

4.4 Canonical SMILES

CC(CCC(C(C)(C)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4CCC5(C4(CCC6(C5CC=C7C6CCC(C7(C)C)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C

4.5 lsomeric SMILES

C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(CC[C@@]6([C@@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)C)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 88 96 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -5.95994 -0.403449 0 0
M  V30 2 C -4.98179 -0.611361 0 0
M  V30 3 C -4.31266 0.131784 0 0
M  V30 4 C -3.33451 -0.0761274 0 0
M  V30 5 C -2.66538 0.667017 0 0
M  V30 6 C -2.9744 1.61807 0 0
M  V30 7 C -2.76649 2.59622 0 0
M  V30 8 C -2.02334 1.92709 0 0
M  V30 9 O -3.95254 1.82599 0 0
M  V30 10 O -1.68723 0.459106 0 0
M  V30 11 C -1.0181 1.20225 0 0
M  V30 12 C -0.0399542 0.994339 0 0
M  V30 13 C 0.629176 1.73748 0 0
M  V30 14 C 0.320159 2.68854 0 0
M  V30 15 C -0.657988 2.89645 0 0
M  V30 16 O -1.32712 2.15331 0 0
M  V30 17 C -0.967005 3.84751 0 0
M  V30 18 O -0.297875 4.59065 0 0
M  V30 19 C -0.606892 5.54171 0 0
M  V30 20 C 0.0622391 6.28485 0 0
M  V30 21 C -0.246778 7.23591 0 0
M  V30 22 C -1.22493 7.44382 0 0
M  V30 23 C -1.89406 6.70068 0 0
M  V30 24 O -1.58504 5.74962 0 0
M  V30 25 C -2.8722 6.90859 0 0
M  V30 26 O -3.18122 7.85965 0 0
M  V30 27 O -1.53394 8.39488 0 0
M  V30 28 O 0.422353 7.97906 0 0
M  V30 29 O 1.04039 6.07694 0 0
M  V30 30 O 0.98929 3.43168 0 0
M  V30 31 O 1.60732 1.52957 0 0
M  V30 32 O 0.269063 0.0432823 0 0
M  V30 33 C 1.24721 -0.164629 0 0
M  V30 34 C 1.55623 -1.11569 0 0
M  V30 35 C 2.53438 -1.3236 0 0
M  V30 36 C 3.20351 -0.580453 0 0
M  V30 37 C 2.89449 0.370604 0 0
M  V30 38 O 1.91634 0.578515 0 0
M  V30 39 C 3.56362 1.11375 0 0
M  V30 40 O 3.2546 2.06481 0 0
M  V30 41 O 4.18165 -0.788364 0 0
M  V30 42 O 2.84339 -2.27465 0 0
M  V30 43 O 0.887097 -1.85883 0 0
M  V30 44 C -4.67277 -1.56242 0 0
M  V30 45 C -5.26056 -2.37143 0 0
M  V30 46 C -4.67277 -3.18045 0 0
M  V30 47 C -3.72172 -2.87143 0 0
M  V30 48 C -3.72172 -1.87143 0 0
M  V30 49 C -2.85569 -1.37143 0 0
M  V30 50 C -1.98966 -1.87143 0 0
M  V30 51 C -1.98966 -2.87143 0 0
M  V30 52 C -2.85569 -3.37143 0 0
M  V30 53 C -2.85569 -4.37143 0 0
M  V30 54 C -1.98966 -4.87143 0 0
M  V30 55 C -1.12364 -4.37143 0 0
M  V30 56 C -1.12364 -3.37143 0 0
M  V30 57 C -0.257614 -2.87143 0 0
M  V30 58 C 0.608412 -3.37143 0 0
M  V30 59 C 0.608412 -4.37143 0 0
M  V30 60 C -0.257614 -4.87143 0 0
M  V30 61 C 0.242386 -5.73746 0 0
M  V30 62 C -0.757614 -5.73746 0 0
M  V30 63 O 1.47444 -4.87143 0 0
M  V30 64 C 2.34046 -4.37143 0 0
M  V30 65 C 3.20649 -4.87143 0 0
M  V30 66 C 4.07251 -4.37143 0 0
M  V30 67 C 4.07251 -3.37143 0 0
M  V30 68 C 3.20649 -2.87143 0 0
M  V30 69 O 2.34046 -3.37143 0 0
M  V30 70 C 3.20649 -1.87143 0 0
M  V30 71 O 2.34046 -1.37143 0 0
M  V30 72 C 2.34046 -0.371434 0 0
M  V30 73 C 3.20649 0.128566 0 0
M  V30 74 C 3.20649 1.12857 0 0
M  V30 75 C 2.34046 1.62857 0 0
M  V30 76 C 1.47444 1.12857 0 0
M  V30 77 O 1.47444 0.128566 0 0
M  V30 78 C 0.608412 1.62857 0 0
M  V30 79 O 0.608412 2.62857 0 0
M  V30 80 O 2.34046 2.62857 0 0
M  V30 81 O 4.07251 1.62857 0 0
M  V30 82 O 4.07251 -0.371434 0 0
M  V30 83 O 4.93854 -2.87143 0 0
M  V30 84 O 4.93854 -4.87143 0 0
M  V30 85 O 3.20649 -5.87143 0 0
M  V30 86 C -1.12364 -2.37143 0 0
M  V30 87 C -3.31498 -0.957889 0 0
M  V30 88 C -3.31498 -3.78498 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 44
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 32
M  V30 16 1 13 14
M  V30 17 1 13 31
M  V30 18 1 14 15
M  V30 19 1 14 30
M  V30 20 1 15 16
M  V30 21 1 15 17
M  V30 22 1 17 18
M  V30 23 1 18 19
M  V30 24 1 19 24
M  V30 25 1 19 20
M  V30 26 1 20 21
M  V30 27 1 20 29
M  V30 28 1 21 22
M  V30 29 1 21 28
M  V30 30 1 22 23
M  V30 31 1 22 27
M  V30 32 1 23 24
M  V30 33 1 23 25
M  V30 34 1 25 26
M  V30 35 1 32 33
M  V30 36 1 33 38
M  V30 37 1 33 34
M  V30 38 1 34 35
M  V30 39 1 34 43
M  V30 40 1 35 36
M  V30 41 1 35 42
M  V30 42 1 36 37
M  V30 43 1 36 41
M  V30 44 1 37 38
M  V30 45 1 37 39
M  V30 46 1 39 40
M  V30 47 1 44 48
M  V30 48 1 44 45
M  V30 49 1 45 46
M  V30 50 1 46 47
M  V30 51 1 47 52
M  V30 52 1 47 48
M  V30 53 1 47 88
M  V30 54 1 48 49
M  V30 55 1 48 87
M  V30 56 1 49 50
M  V30 57 1 50 51
M  V30 58 1 51 56
M  V30 59 1 51 52
M  V30 60 1 51 86
M  V30 61 1 52 53
M  V30 62 1 53 54
M  V30 63 2 54 55
M  V30 64 1 55 60
M  V30 65 1 55 56
M  V30 66 1 56 57
M  V30 67 1 57 58
M  V30 68 1 58 59
M  V30 69 1 59 60
M  V30 70 1 59 63
M  V30 71 1 60 61
M  V30 72 1 60 62
M  V30 73 1 63 64
M  V30 74 1 64 69
M  V30 75 1 64 65
M  V30 76 1 65 66
M  V30 77 1 65 85
M  V30 78 1 66 67
M  V30 79 1 66 84
M  V30 80 1 67 68
M  V30 81 1 67 83
M  V30 82 1 68 69
M  V30 83 1 68 70
M  V30 84 1 70 71
M  V30 85 1 71 72
M  V30 86 1 72 77
M  V30 87 1 72 73
M  V30 88 1 73 74
M  V30 89 1 73 82
M  V30 90 1 74 75
M  V30 91 1 74 81
M  V30 92 1 75 76
M  V30 93 1 75 80
M  V30 94 1 76 77
M  V30 95 1 76 78
M  V30 96 1 78 79
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