CAS号:11021-13-9-人参皂苷Rb2 - Ginsenoside C-科华智慧

1. 主信息

英文名:	Ginsenoside C
中文名:	人参皂苷Rb2
CAS编号:	11021-13-9
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(CO8)O)O)O)O)O)O)C
来源：	-
结构类型：	三萜类
其它名称或标识：	gingenoside C ginsenoside Rb2

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%	380	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)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]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)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(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

NODILNFGTFIURN-GZPRDHCNSA-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(CO8)O)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](CO8)O)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 1.99318 -6.67068 0 0
M  V30 2 C 2.99318 -6.67068 0 0
M  V30 3 C 3.49318 -5.80465 0 0
M  V30 4 C 2.99318 -4.93863 0 0
M  V30 5 C 3.49318 -4.0726 0 0
M  V30 6 C 2.99318 -3.20658 0 0
M  V30 7 C 2.12716 -3.70658 0 0
M  V30 8 C 2.49318 -2.34055 0 0
M  V30 9 C 2.89992 -1.42701 0 0
M  V30 10 C 2.15678 -0.757875 0 0
M  V30 11 C 1.29075 -1.25787 0 0
M  V30 12 C 1.49866 -2.23602 0 0
M  V30 13 C 0.755517 -2.90515 0 0
M  V30 14 C -0.19554 -2.59614 0 0
M  V30 15 C -0.403452 -1.61799 0 0
M  V30 16 C 0.339693 -0.948858 0 0
M  V30 17 C 0.131782 0.0292897 0 0
M  V30 18 C -0.819275 0.338307 0 0
M  V30 19 C -1.56242 -0.330824 0 0
M  V30 20 C -1.35451 -1.30897 0 0
M  V30 21 C -2.09765 -1.9781 0 0
M  V30 22 C -3.04871 -1.66909 0 0
M  V30 23 C -3.25662 -0.690938 0 0
M  V30 24 C -2.51348 -0.021807 0 0
M  V30 25 C -3.18261 0.721338 0 0
M  V30 26 C -2.20446 0.92925 0 0
M  V30 27 O -4.20768 -0.381921 0 0
M  V30 28 C -4.41559 0.596227 0 0
M  V30 29 C -3.67244 1.26536 0 0
M  V30 30 C -3.88036 2.24351 0 0
M  V30 31 C -4.83141 2.55252 0 0
M  V30 32 C -5.57456 1.88339 0 0
M  V30 33 O -5.36665 0.905244 0 0
M  V30 34 C -6.52561 2.19241 0 0
M  V30 35 O -6.73353 3.17056 0 0
M  V30 36 O -5.03932 3.53067 0 0
M  V30 37 O -3.13721 2.91264 0 0
M  V30 38 O -2.72139 0.956341 0 0
M  V30 39 C -1.97824 1.62547 0 0
M  V30 40 C -1.02719 1.31645 0 0
M  V30 41 C -0.284042 1.98558 0 0
M  V30 42 C -0.491954 2.96373 0 0
M  V30 43 C -1.44301 3.27275 0 0
M  V30 44 O -2.18615 2.60362 0 0
M  V30 45 C -1.65092 4.2509 0 0
M  V30 46 O -0.907777 4.92003 0 0
M  V30 47 O 0.251191 3.63286 0 0
M  V30 48 O 0.667015 1.67657 0 0
M  V30 49 O -0.819275 0.338307 0 0
M  V30 50 C -1.1466 -2.28712 0 0
M  V30 51 C 1.08284 -0.279727 0 0
M  V30 52 O 0.963428 -3.8833 0 0
M  V30 53 C 0.702964 -0.448858 0 0
M  V30 54 O 3.85921 -2.70658 0 0
M  V30 55 C 3.85921 -1.70658 0 0
M  V30 56 C 4.72523 -1.20658 0 0
M  V30 57 C 4.72523 -0.206576 0 0
M  V30 58 C 3.85921 0.293424 0 0
M  V30 59 C 2.99318 -0.206576 0 0
M  V30 60 O 2.99318 -1.20658 0 0
M  V30 61 C 2.12716 0.293424 0 0
M  V30 62 O 2.12716 1.29342 0 0
M  V30 63 C 1.26113 1.79342 0 0
M  V30 64 C 1.26113 2.79342 0 0
M  V30 65 C 0.395107 3.29342 0 0
M  V30 66 C -0.470918 2.79342 0 0
M  V30 67 C -0.470918 1.79342 0 0
M  V30 68 O 0.395107 1.29342 0 0
M  V30 69 O -1.33694 3.29342 0 0
M  V30 70 O 0.395107 4.29342 0 0
M  V30 71 O 2.12716 3.29342 0 0
M  V30 72 O 3.85921 1.29342 0 0
M  V30 73 O 5.59126 0.293424 0 0
M  V30 74 O 5.59126 -1.70658 0 0
M  V30 75 C 3.49318 -7.5367 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 68
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 69
M  V30 82 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
茯苓	Indian Bread	Poria
甘遂	root of Gansui	Radix Kansui
红参	Red Ginseng	Radix Ginseng Rubra
喙果绞股蓝	Rostratefruit Gynostemma	Gynostemma yixingense
绞股蓝	Gynostemmae Pentaphylli Herba	-
络石藤	stem of Chinese starjasmine	Caulis Trachelospermi
没药	Myrrh	Resi myrrhae;Myrrha
牡荆子	Viticis Canbifoliae Fructus	-
人参	Ginseng	Radix Ginseng
人参叶	Ginseng Leaf	Folium Ginseng

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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