CAS号:14197-60-5-(S型)人参皂苷Rg3 - Ginsenoside Rg3-科华智慧

1. 主信息

英文名:	Ginsenoside Rg3
中文名:	(S型)人参皂苷Rg3
CAS编号:	14197-60-5
化学分子式：	C₄₂H₇₂O₁₃
化学分子量：	785.0 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)O)C
来源：	积雪草三七人参
结构类型：	三萜类
其它名称或标识：	20(R)-ginsenoside Rg(3) 20(S)-ginsenoside Rg(3) 20s-ginsenoside rg3 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyldammar-24-ene-3beta,12beta,20s-triol beta-D-glucopyranoside, (3beta,12beta)-12,20-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-

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%	360	点击购买	2-8℃	现货	-
科华智慧	100mg	HPLC≥98%	1200	点击购买	2-8℃	现货	-
科华智慧	1g	95%	2400	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-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-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]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1

4.3 InChlKey

RWXIFXNRCLMQCD-JBVRGBGGSA-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)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

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 55 60 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.49417 0.677656 0 0
M  V30 2 C 4.49417 0.677656 0 0
M  V30 3 C 4.99417 1.54368 0 0
M  V30 4 C 4.49417 2.40971 0 0
M  V30 5 C 4.99417 3.27573 0 0
M  V30 6 C 4.49417 4.14176 0 0
M  V30 7 C 4.49417 5.14176 0 0
M  V30 8 C 3.49417 4.14176 0 0
M  V30 9 C 2.90639 4.95077 0 0
M  V30 10 C 1.95533 4.64176 0 0
M  V30 11 C 1.95533 3.64176 0 0
M  V30 12 C 2.90639 3.33274 0 0
M  V30 13 C 3.1143 2.35459 0 0
M  V30 14 C 2.37115 1.68546 0 0
M  V30 15 C 1.4201 1.99448 0 0
M  V30 16 C 1.21219 2.97263 0 0
M  V30 17 C 0.261129 3.28164 0 0
M  V30 18 C -0.482015 2.61251 0 0
M  V30 19 C -0.274104 1.63437 0 0
M  V30 20 C 0.676953 1.32535 0 0
M  V30 21 C 0.884865 0.347201 0 0
M  V30 22 C 0.14172 -0.321929 0 0
M  V30 23 C -0.809337 -0.0129123 0 0
M  V30 24 C -1.01725 0.965235 0 0
M  V30 25 C -1.9954 0.757324 0 0
M  V30 26 C -1.68638 1.70838 0 0
M  V30 27 O -1.55248 -0.682043 0 0
M  V30 28 C -1.34457 -1.66019 0 0
M  V30 29 C -2.08771 -2.32932 0 0
M  V30 30 C -1.8798 -3.30747 0 0
M  V30 31 C -0.928747 -3.61649 0 0
M  V30 32 C -0.185602 -2.94736 0 0
M  V30 33 O -0.393513 -1.96921 0 0
M  V30 34 C 0.765455 -3.25637 0 0
M  V30 35 O 0.973366 -4.23452 0 0
M  V30 36 O -0.720835 -4.59463 0 0
M  V30 37 O -2.62295 -3.9766 0 0
M  V30 38 O -3.03877 -2.0203 0 0
M  V30 39 C -3.78192 -2.68943 0 0
M  V30 40 C -4.73297 -2.38042 0 0
M  V30 41 C -5.47612 -3.04955 0 0
M  V30 42 C -5.26821 -4.0277 0 0
M  V30 43 C -4.31715 -4.33671 0 0
M  V30 44 O -3.574 -3.66758 0 0
M  V30 45 C -4.10924 -5.31486 0 0
M  V30 46 O -4.85238 -5.98399 0 0
M  V30 47 O -6.01135 -4.69683 0 0
M  V30 48 O -6.42717 -2.74053 0 0
M  V30 49 O -4.94088 -1.40227 0 0
M  V30 50 C 1.62801 1.01633 0 0
M  V30 51 C 1.00427 3.95077 0 0
M  V30 52 O 4.06536 2.04558 0 0
M  V30 53 C 0.960809 3.53723 0 0
M  V30 54 O 5.3602 4.64176 0 0
M  V30 55 C 4.99417 -0.188369 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 55
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 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
红参	Red Ginseng	Radix Ginseng Rubra
没药	Myrrh	Resi myrrhae;Myrrha
人参	Ginseng	Radix Ginseng
桑叶	Mulberry Leaf	Folium Mori
西洋参	American Ginseng	Radix Pacis quinquefolii
西洋参茎叶	American Ginseng Stem-leaf	Panax quinquefolium

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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