CAS号:562043-82-7-枸杞酸 - 2-o-beta-d-Glucopyranosyl-l-ascorbic acid-科华智慧

1. 主信息

英文名:	2-o-beta-d-Glucopyranosyl-l-ascorbic acid
中文名:	枸杞酸
CAS编号:	562043-82-7
化学分子式：	C₁₂H₁₈O₁₁
化学分子量：	338.26 g/mol
SMILES：	C(C1C(C(C(C(O1)OC2=C(C(OC2=O)C(CO)O)O)O)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	2-O-(beta-D-glucopyranosyl)ascorbic acid 2-O-D-G-AA

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	10mg	HPLC≥98%	2080	点击购买	2-8℃	现货	-
科华智慧	20mg	HPLC≥98%	3600	点击购买	2-8℃	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 41 42 0 1 0 0 0 0 0999 V2000 1.4736 0.6553 -0.6518 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 -1.3140 -1.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7716 -1.4362 0.6189 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4729 1.3491 1.3321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -2.7538 0.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9018 0.2717 -1.2745 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1546 3.3682 -0.3462 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7462 -2.5747 0.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 0.7909 1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 0.9425 -2.4606 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 1.2543 2.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -0.7874 0.7720 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6752 0.6757 0.3618 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4663 -1.4906 -0.0981 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3148 1.3689 0.2561 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1831 -0.6667 -0.2042 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4473 2.7964 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1896 -0.7682 -0.3176 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9666 -0.9311 -0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 -1.4770 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -0.1225 0.9774 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5923 0.1988 -1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9541 0.6504 0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 -0.8684 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2081 0.7316 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8739 -1.6957 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8159 1.4103 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6951 -0.6234 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 2.8058 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 3.4111 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9613 -1.4219 -0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0204 -1.3962 -0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 1.3171 2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7741 -2.5937 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7867 -0.8667 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 4.2738 -0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8359 1.4569 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7621 -0.0136 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6105 -2.7696 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5488 1.4772 0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 1.7340 1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 3 32 1 0 0 0 0 4 13 1 0 0 0 0 4 33 1 0 0 0 0 5 14 1 0 0 0 0 5 34 1 0 0 0 0 6 18 1 0 0 0 0 6 22 1 0 0 0 0 7 17 1 0 0 0 0 7 36 1 0 0 0 0 8 20 1 0 0 0 0 8 39 1 0 0 0 0 9 21 1 0 0 0 0 9 40 1 0 0 0 0 10 22 2 0 0 0 0 11 23 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one

4.2 InChl

InChI=1S/C12H18O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12/h3-7,9,12-19H,1-2H2/t3-,4+,5+,6-,7+,9+,12-/m0/s1

4.3 InChlKey

MLSJBGYKDYSOAE-DNYNHWTLSA-N

4.4 Canonical SMILES

C(C1C(C(C(C(O1)OC2=C(C(OC2=O)C(CO)O)O)O)O)O)O

4.5 lsomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C([C@H](OC2=O)[C@H](CO)O)O)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 24 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -3.51162 -2.90674 0 0
M  V30 2 C -3.51162 -1.90674 0 0
M  V30 3 C -4.37765 -1.40674 0 0
M  V30 4 C -4.37765 -0.406737 0 0
M  V30 5 C -3.51162 0.0932634 0 0
M  V30 6 C -2.6456 -0.406737 0 0
M  V30 7 O -2.6456 -1.40674 0 0
M  V30 8 O -1.77957 0.0932634 0 0
M  V30 9 C -0.913545 -0.406737 0 0
M  V30 10 C -0.809017 -1.40126 0 0
M  V30 11 C 0.169131 -1.60917 0 0
M  V30 12 O 0.669131 -0.743145 0 0
M  V30 13 C 0 0 0 0
M  V30 14 O 0.207912 0.978148 0 0
M  V30 15 C 0.575867 -2.52272 0 0
M  V30 16 C 1.57039 -2.62724 0 0
M  V30 17 O 1.97713 -3.54079 0 0
M  V30 18 O -0.011918 -3.33173 0 0
M  V30 19 O -1.55216 -2.07039 0 0
M  V30 20 O -3.51162 1.09326 0 0
M  V30 21 O -5.24367 0.0932634 0 0
M  V30 22 O -5.24367 -1.90674 0 0
M  V30 23 O -4.37765 -3.40674 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 23
M  V30 3 1 2 7
M  V30 4 1 2 3
M  V30 5 1 3 4
M  V30 6 1 3 22
M  V30 7 1 4 5
M  V30 8 1 4 21
M  V30 9 1 5 6
M  V30 10 1 5 20
M  V30 11 1 6 7
M  V30 12 1 6 8
M  V30 13 1 8 9
M  V30 14 1 9 13
M  V30 15 2 9 10
M  V30 16 1 10 11
M  V30 17 1 10 19
M  V30 18 1 11 12
M  V30 19 1 11 15
M  V30 20 1 12 13
M  V30 21 2 13 14
M  V30 22 1 15 16
M  V30 23 1 15 18
M  V30 24 1 16 17
M  V30 END BOND
M  V30 END CTAB
M  END

回顶

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

回顶

6. 相关药材

中文名称	英文名称	拉丁文名称
枸杞子	fruit of Chinese Wolfberry	Fructus Lycii

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型