Cas no 164322-82-1 (2H-Pyran-4-acetic acid,3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,[(1S,2R,3R,5R)-5-[(1R)-2-[[[(2S,3E,4S)-3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]-1-(hydroxymethyl)ethyl]-3-hydroxy-2-methylcyclopentyl]methylester, (2S,3E,4S)- (9CI))
![2H-Pyran-4-acetic acid,3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,[(1S,2R,3R,5R)-5-[(1R)-2-[[[(2S,3E,4S)-3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]-1-(hydroxymethyl)ethyl]-3-hydroxy-2-methylcyclopentyl]methylester, (2S,3E,4S)- (9CI) structure](https://ossimg.kuujia.com/scimg/164500/164322-82-1x500.png)
164322-82-1 structure
Product Name:2H-Pyran-4-acetic acid,3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,[(1S,2R,3R,5R)-5-[(1R)-2-[[[(2S,3E,4S)-3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]-1-(hydroxymethyl)ethyl]-3-hydroxy-2-methylcyclopentyl]methylester, (2S,3E,4S)- (9CI)
CAS No:164322-82-1
MF:C44H64O24
MW:976.964576721191
CID:188606
Update Time:2024-03-01
2H-Pyran-4-acetic acid,3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,[(1S,2R,3R,5R)-5-[(1R)-2-[[[(2S,3E,4S)-3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]-1-(hydroxymethyl)ethyl]-3-hydroxy-2-methylcyclopentyl]methylester, (2S,3E,4S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-4-acetic acid,3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,[(1S,2R,3R,5R)-5-[(1R)-2-[[[(2S,3E,4S)-3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]-1-(hydroxymethyl)ethyl]-3-hydroxy-2-methylcyclopentyl]methylester, (2S,3E,4S)- (9CI)
- 2H-Pyran-4-aceticacid, 3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, [5-[2-[[[3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]-1-(hydroxymethyl)ethyl]-3-hydroxy-2-methylcyclopentyl]methylester, [1S-[1a(2R*,3E,4R*),2b,3a,5b[S*(2R*,3E,4R*)]]]-
- Molihuaside E
- CID 101920649
-
- Inchi： 1S/C44H64O24/c1-6-20-23(26(39(57)59-4)16-63-41(20)67-43-37(55)35(53)33(51)29(12-46)65-43)9-31(49)61-14-19(11-45)22-8-28(48)18(3)25(22)15-62-32(50)10-24-21(7-2)42(64-17-27(24)40(58)60-5)68-44-38(56)36(54)34(52)30(13-47)66-44/h6-7,16-19,22-25,28-30,33-38,41-48,51-56H,8-15H2,1-5H3/b20-6-,21-7-/t18-,19-,22+,23+,24+,25-,28-,29-,30-,33-,34-,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1
- InChI Key： DHWFTDJZMBRGBH-LHYLZKIYSA-N
- SMILES： O[C@@H]1C[C@@H]([C@H](CO)COC(C[C@@H]2C(C(=O)OC)=CO[C@H](/C/2=C\C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)=O)[C@H](COC(C[C@@H]2C(C(=O)OC)=CO[C@H](/C/2=C\C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)=O)[C@H]1C
Computed Properties
- Exact Mass: 976.379
- Monoisotopic Mass: 976.379
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 24
- Heavy Atom Count: 68
- Rotatable Bond Count: 22
- Complexity: 1870
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 19
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 363
2H-Pyran-4-acetic acid,3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,[(1S,2R,3R,5R)-5-[(1R)-2-[[[(2S,3E,4S)-3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]-1-(hydroxymethyl)ethyl]-3-hydroxy-2-methylcyclopentyl]methylester, (2S,3E,4S)- (9CI) Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
164322-82-1 (2H-Pyran-4-acetic acid,3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,[(1S,2R,3R,5R)-5-[(1R)-2-[[[(2S,3E,4S)-3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetyl]oxy]-1-(hydroxymethyl)ethyl]-3-hydroxy-2-methylcyclopentyl]methylester, (2S,3E,4S)- (9CI)) Related Products
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