CAS号:915792-03-9-- - Acanthopanaxoside B-科华智慧

1. 主信息

英文名:	Acanthopanaxoside B
中文名:	-
CAS编号:	915792-03-9
化学分子式：	C₆₁H₉₈O₂₇
化学分子量：	1263.4 g/mol
SMILES：	CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)O)COC(=O)C)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	3-O-beta-D-glucopyranosyl-(1-2)-alpha-L-arabinopyranosyl oleanolic acid 28-O-alpha-L-rhamnopyranosyl-(1-4)-6-O-acetyl-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester acanthopanaxoside B

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≥98%	1440	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)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

4.2 InChl

InChI=1S/C61H98O27/c1-25-36(65)40(69)44(73)51(81-25)86-48-32(24-78-26(2)63)84-50(47(76)43(48)72)80-23-31-39(68)42(71)46(75)53(83-31)88-55(77)61-18-16-56(3,4)20-28(61)27-10-11-34-58(7)14-13-35(57(5,6)33(58)12-15-60(34,9)59(27,8)17-19-61)85-54-49(37(66)29(64)22-79-54)87-52-45(74)41(70)38(67)30(21-62)82-52/h10,25,28-54,62,64-76H,11-24H2,1-9H3/t25-,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-,58-,59+,60+,61-/m0/s1

4.3 InChlKey

NYFPVHPLEGGWHZ-DIUPZIBKSA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)O)COC(=O)C)O)O)O

4.5 lsomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)COC(=O)C)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 88 97 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -8.50535 4.90416 0 0
M  V30 2 C -9.4423 5.15521 0 0
M  V30 3 C -9.69336 6.09216 0 0
M  V30 4 C -10.6303 6.34322 0 0
M  V30 5 C -11.3162 5.65732 0 0
M  V30 6 C -11.0651 4.72037 0 0
M  V30 7 O -10.1282 4.46932 0 0
M  V30 8 O -11.751 4.03448 0 0
M  V30 9 C -11.5 3.09753 0 0
M  V30 10 C -10.563 2.84648 0 0
M  V30 11 O -10.312 1.90953 0 0
M  V30 12 C -10.9979 1.22364 0 0
M  V30 13 C -11.9348 1.47469 0 0
M  V30 14 C -12.1859 2.41164 0 0
M  V30 15 O -13.1228 2.66269 0 0
M  V30 16 O -12.6207 0.788797 0 0
M  V30 17 O -10.7468 0.286688 0 0
M  V30 18 C -11.4327 -0.399205 0 0
M  V30 19 C -11.1817 -1.33615 0 0
M  V30 20 C -11.8676 -2.02205 0 0
M  V30 21 C -11.6165 -2.95899 0 0
M  V30 22 C -10.6795 -3.21005 0 0
M  V30 23 C -9.99365 -2.52416 0 0
M  V30 24 O -10.2447 -1.58721 0 0
M  V30 25 O -9.05671 -2.77521 0 0
M  V30 26 C -8.5546 -4.64911 0 0
M  V30 27 O -6.6807 -5.15122 0 0
M  V30 28 C -9.24049 -5.335 0 0
M  V30 29 C -10.0805 -5.82 0 0
M  V30 30 C -10.0805 -6.79 0 0
M  V30 31 C -9.24049 -7.275 0 0
M  V30 32 C -8.40045 -6.79 0 0
M  V30 33 C -8.40045 -5.82 0 0
M  V30 34 C -7.5604 -5.335 0 0
M  V30 35 C -6.72036 -5.82 0 0
M  V30 36 C -5.88031 -5.335 0 0
M  V30 37 C -5.88031 -4.365 0 0
M  V30 38 C -5.04027 -3.88 0 0
M  V30 39 C -4.20022 -4.365 0 0
M  V30 40 C -3.36018 -3.88 0 0
M  V30 41 C -3.36018 -2.91 0 0
M  V30 42 C -4.20022 -2.425 0 0
M  V30 43 C -5.04027 -2.91 0 0
M  V30 44 C -5.88031 -2.425 0 0
M  V30 45 C -6.72036 -2.91 0 0
M  V30 46 C -6.72036 -3.88 0 0
M  V30 47 C -7.5604 -4.365 0 0
M  V30 48 C -8.40045 -3.88 0 0
M  V30 49 C -9.24049 -4.365 0 0
M  V30 50 C -7.5604 -2.425 0 0
M  V30 51 C -7.5604 -3.395 0 0
M  V30 52 C -4.68522 -1.58496 0 0
M  V30 53 C -3.71522 -1.58496 0 0
M  V30 54 O -2.52013 -2.425 0 0
M  V30 55 C -2.52013 -1.455 0 0
M  V30 56 C -1.68009 -0.97 0 0
M  V30 57 C -1.68009 -5.1692e-15 0 0
M  V30 58 C -2.52013 0.485 0 0
M  V30 59 C -3.36018 -6.99996e-15 0 0
M  V30 60 O -3.36018 -0.97 0 0
M  V30 61 O -2.52013 1.455 0 0
M  V30 62 O -0.840045 0.485 0 0
M  V30 63 O -0.840045 -1.455 0 0
M  V30 64 C -6.99996e-16 -0.97 0 0
M  V30 65 C 0.840045 -1.455 0 0
M  V30 66 C 1.68009 -0.97 0 0
M  V30 67 C 1.68009 1.93845e-15 0 0
M  V30 68 C 0.840045 0.485 0 0
M  V30 69 O -0 -0 0 0
M  V30 70 C 0.840045 1.455 0 0
M  V30 71 O 1.68009 1.94 0 0
M  V30 72 O 2.52013 0.485 0 0
M  V30 73 O 2.52013 -1.455 0 0
M  V30 74 O 0.840045 -2.425 0 0
M  V30 75 C -5.04027 -4.85 0 0
M  V30 76 C -8.75549 -8.11504 0 0
M  V30 77 C -9.72549 -8.11504 0 0
M  V30 78 O -10.4285 -4.147 0 0
M  V30 79 O -12.3024 -3.64489 0 0
M  V30 80 O -12.8045 -1.77099 0 0
M  V30 81 C -9.87714 3.53237 0 0
M  V30 82 O -8.94019 3.28132 0 0
M  V30 83 C -8.68914 2.34437 0 0
M  V30 84 O -7.75219 2.09331 0 0
M  V30 85 C -9.37503 1.65848 0 0
M  V30 86 O -12.2531 5.90838 0 0
M  V30 87 O -10.8814 7.28016 0 0
M  V30 88 O -9.00746 6.77805 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 3 88
M  V30 6 1 4 5
M  V30 7 1 4 87
M  V30 8 1 5 6
M  V30 9 1 5 86
M  V30 10 1 6 7
M  V30 11 1 6 8
M  V30 12 1 8 9
M  V30 13 1 9 14
M  V30 14 1 9 10
M  V30 15 1 10 11
M  V30 16 1 10 81
M  V30 17 1 11 12
M  V30 18 1 12 13
M  V30 19 1 12 17
M  V30 20 1 13 14
M  V30 21 1 13 16
M  V30 22 1 14 15
M  V30 23 1 17 18
M  V30 24 1 18 19
M  V30 25 1 19 24
M  V30 26 1 19 20
M  V30 27 1 20 21
M  V30 28 1 20 80
M  V30 29 1 21 22
M  V30 30 1 21 79
M  V30 31 1 22 23
M  V30 32 1 22 78
M  V30 33 1 23 24
M  V30 34 1 23 25
M  V30 35 1 25 26
M  V30 36 2 26 27
M  V30 37 1 26 28
M  V30 38 1 28 33
M  V30 39 1 28 49
M  V30 40 1 28 29
M  V30 41 1 29 30
M  V30 42 1 30 31
M  V30 43 1 31 32
M  V30 44 1 31 76
M  V30 45 1 31 77
M  V30 46 1 32 33
M  V30 47 1 33 34
M  V30 48 1 34 47
M  V30 49 2 34 35
M  V30 50 1 35 36
M  V30 51 1 36 37
M  V30 52 1 37 46
M  V30 53 1 37 38
M  V30 54 1 38 43
M  V30 55 1 38 39
M  V30 56 1 38 75
M  V30 57 1 39 40
M  V30 58 1 40 41
M  V30 59 1 41 42
M  V30 60 1 41 54
M  V30 61 1 42 43
M  V30 62 1 42 52
M  V30 63 1 42 53
M  V30 64 1 43 44
M  V30 65 1 44 45
M  V30 66 1 45 46
M  V30 67 1 46 47
M  V30 68 1 46 51
M  V30 69 1 47 48
M  V30 70 1 47 50
M  V30 71 1 48 49
M  V30 72 1 54 55
M  V30 73 1 55 60
M  V30 74 1 55 56
M  V30 75 1 56 57
M  V30 76 1 56 63
M  V30 77 1 57 58
M  V30 78 1 57 62
M  V30 79 1 58 59
M  V30 80 1 58 61
M  V30 81 1 59 60
M  V30 82 1 63 64
M  V30 83 1 64 69
M  V30 84 1 64 65
M  V30 85 1 65 66
M  V30 86 1 65 74
M  V30 87 1 66 67
M  V30 88 1 66 73
M  V30 89 1 67 68
M  V30 90 1 67 72
M  V30 91 1 68 69
M  V30 92 1 68 70
M  V30 93 1 70 71
M  V30 94 1 81 82
M  V30 95 1 82 83
M  V30 96 2 83 84
M  V30 97 1 83 85
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