CAS号:11021-14-0-人参皂苷Rc - Ginsenoside Rc-科华智慧

1. 主信息

英文名:	Ginsenoside Rc
中文名:	人参皂苷Rc
CAS编号:	11021-14-0
化学分子式：	C₅₃H₉₀O₂₂
化学分子量：	1079.3 g/mol
SMILES：	CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C
来源：	三七
结构类型：	三萜类
其它名称或标识：	ginsenoside Rc ginsenoside-Rc

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	1g	HPLC≥98%	3600	点击购买	2-8℃	现货	-
科华智慧	500mg	HPLC≥98%	2000	点击购买	2-8℃	现货	-
科华智慧	200mg	HPLC≥98%	650	点击购买	2-8℃	现货	-
科华智慧	100mg	HPLC≥98%	610	点击购买	2-8℃	现货	-
科华智慧	20mg	HPLC≥98%	210	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

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,50-,51+,52+,53-/m0/s1

4.3 InChlKey

JDCPEKQWFDWQLI-LUQKBWBOSA-N

4.4 Canonical SMILES

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C

4.5 lsomeric SMILES

CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](O8)CO)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 75 82 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.02628 -6.65307 0 0
M  V30 2 C 3.02628 -6.65307 0 0
M  V30 3 C 3.52628 -5.78704 0 0
M  V30 4 C 3.02628 -4.92101 0 0
M  V30 5 C 3.52628 -4.05499 0 0
M  V30 6 C 3.02628 -3.18896 0 0
M  V30 7 C 2.16025 -3.68896 0 0
M  V30 8 C 2.52628 -2.32294 0 0
M  V30 9 C 2.93302 -1.40939 0 0
M  V30 10 C 2.18987 -0.740262 0 0
M  V30 11 C 1.32385 -1.24026 0 0
M  V30 12 C 1.53176 -2.21841 0 0
M  V30 13 C 0.788612 -2.88754 0 0
M  V30 14 C -0.162444 -2.57852 0 0
M  V30 15 C -0.370356 -1.60038 0 0
M  V30 16 C 0.372789 -0.931245 0 0
M  V30 17 C 0.164877 0.0469025 0 0
M  V30 18 C -0.786179 0.35592 0 0
M  V30 19 C -1.52932 -0.313211 0 0
M  V30 20 C -1.32141 -1.29136 0 0
M  V30 21 C -2.06456 -1.96049 0 0
M  V30 22 C -3.01561 -1.65147 0 0
M  V30 23 C -3.22353 -0.673325 0 0
M  V30 24 C -2.48038 -0.00419409 0 0
M  V30 25 C -3.14951 0.738951 0 0
M  V30 26 C -2.17136 0.946862 0 0
M  V30 27 O -4.17458 -0.364308 0 0
M  V30 28 C -4.38249 0.61384 0 0
M  V30 29 C -3.63935 1.28297 0 0
M  V30 30 C -3.84726 2.26112 0 0
M  V30 31 C -4.79832 2.57014 0 0
M  V30 32 C -5.54146 1.901 0 0
M  V30 33 O -5.33355 0.922857 0 0
M  V30 34 C -6.49252 2.21002 0 0
M  V30 35 O -6.70043 3.18817 0 0
M  V30 36 O -5.00623 3.54828 0 0
M  V30 37 O -3.10412 2.93025 0 0
M  V30 38 O -2.68829 0.973954 0 0
M  V30 39 C -1.94515 1.64308 0 0
M  V30 40 C -0.994091 1.33407 0 0
M  V30 41 C -0.250946 2.0032 0 0
M  V30 42 C -0.458858 2.98135 0 0
M  V30 43 C -1.40991 3.29036 0 0
M  V30 44 O -2.15306 2.62123 0 0
M  V30 45 C -1.61783 4.26851 0 0
M  V30 46 O -0.874681 4.93764 0 0
M  V30 47 O 0.284287 3.65048 0 0
M  V30 48 O 0.70011 1.69418 0 0
M  V30 49 O -0.786179 0.35592 0 0
M  V30 50 C -1.1135 -2.26951 0 0
M  V30 51 C 1.11593 -0.262114 0 0
M  V30 52 O 0.996524 -3.86569 0 0
M  V30 53 C 0.73606 -0.431245 0 0
M  V30 54 O 3.8923 -2.68896 0 0
M  V30 55 C 3.8923 -1.68896 0 0
M  V30 56 C 4.75833 -1.18896 0 0
M  V30 57 C 4.75833 -0.188964 0 0
M  V30 58 C 3.8923 0.311036 0 0
M  V30 59 C 3.02628 -0.188964 0 0
M  V30 60 O 3.02628 -1.18896 0 0
M  V30 61 C 2.16025 0.311036 0 0
M  V30 62 O 2.16025 1.31104 0 0
M  V30 63 C 1.29423 1.81104 0 0
M  V30 64 C 1.1897 2.80556 0 0
M  V30 65 C 0.211552 3.01347 0 0
M  V30 66 C -0.288448 2.14744 0 0
M  V30 67 O 0.380683 1.4043 0 0
M  V30 68 C -1.28297 2.04292 0 0
M  V30 69 O -1.87076 2.85193 0 0
M  V30 70 O -0.195185 3.92702 0 0
M  V30 71 O 1.93284 3.47469 0 0
M  V30 72 O 3.8923 1.31104 0 0
M  V30 73 O 5.62436 0.311036 0 0
M  V30 74 O 5.62436 -1.68896 0 0
M  V30 75 C 3.52628 -7.51909 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 75
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 6 54
M  V30 10 1 8 12
M  V30 11 1 8 9
M  V30 12 1 9 10
M  V30 13 1 10 11
M  V30 14 1 11 16
M  V30 15 1 11 12
M  V30 16 1 11 53
M  V30 17 1 12 13
M  V30 18 1 13 14
M  V30 19 1 13 52
M  V30 20 1 14 15
M  V30 21 1 15 20
M  V30 22 1 15 16
M  V30 23 1 16 17
M  V30 24 1 16 51
M  V30 25 1 17 18
M  V30 26 1 18 19
M  V30 27 1 19 24
M  V30 28 1 19 20
M  V30 29 1 20 21
M  V30 30 1 20 50
M  V30 31 1 21 22
M  V30 32 1 22 23
M  V30 33 1 23 24
M  V30 34 1 23 27
M  V30 35 1 24 25
M  V30 36 1 24 26
M  V30 37 1 27 28
M  V30 38 1 28 33
M  V30 39 1 28 29
M  V30 40 1 29 30
M  V30 41 1 29 38
M  V30 42 1 30 31
M  V30 43 1 30 37
M  V30 44 1 31 32
M  V30 45 1 31 36
M  V30 46 1 32 33
M  V30 47 1 32 34
M  V30 48 1 34 35
M  V30 49 1 38 39
M  V30 50 1 39 44
M  V30 51 1 39 40
M  V30 52 1 40 41
M  V30 53 1 40 49
M  V30 54 1 41 42
M  V30 55 1 41 48
M  V30 56 1 42 43
M  V30 57 1 42 47
M  V30 58 1 43 44
M  V30 59 1 43 45
M  V30 60 1 45 46
M  V30 61 1 54 55
M  V30 62 1 55 60
M  V30 63 1 55 56
M  V30 64 1 56 57
M  V30 65 1 56 74
M  V30 66 1 57 58
M  V30 67 1 57 73
M  V30 68 1 58 59
M  V30 69 1 58 72
M  V30 70 1 59 60
M  V30 71 1 59 61
M  V30 72 1 61 62
M  V30 73 1 62 63
M  V30 74 1 63 67
M  V30 75 1 63 64
M  V30 76 1 64 65
M  V30 77 1 64 71
M  V30 78 1 65 66
M  V30 79 1 65 70
M  V30 80 1 66 67
M  V30 81 1 66 68
M  V30 82 1 68 69
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