Cas no 155023-62-4 (Gymnemic acid xiv)
Gymnemic acid xiv structure
Product Name:Gymnemic acid xiv
CAS No:155023-62-4
MF:C41H64O13
MW:764.939074516296
CID:170043
PubChem ID:14258866
Update Time:2024-03-01
Gymnemic acid xiv Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,21,22,23-tetrahydroxy-28-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-yl(9CI)
- b-D-Glucopyranosiduronic acid, [3b,4a,16b,21b,22a,28(E)]-16,21,22,23-tetrahydroxy-28-[(2-methyl-1-oxo-2-butenyl)oxy]olean-12-en-3-yl
- Gymnemic acid XIV
- Oleanane, b-D-glucopyranosiduronic acidderiv.
- 7I0K42923T
- Gymnemic acid xiv (constituent of gymnema) [DSC]
- Q27268326
- Gymnemic acid xiv (constituent of gymnema)
- 155023-62-4
- beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-16,21,22,23-tetrahydroxy-28-(((2E)-2-methyl-1-oxo-2-buten-1-yl)oxy)olean-12-en-3-yl
- UNII-7I0K42923T
- .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,21,22,23-TETRAHYDROXY-28-(((2E)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)OLEAN-12-EN-3-YL
- Gymnemic acid xiv
-
- Inchi： 1S/C41H64O13/c1-9-20(2)34(51)52-19-41-22(16-36(3,4)31(47)32(41)48)21-10-11-24-37(5)14-13-26(53-35-29(46)27(44)28(45)30(54-35)33(49)50)38(6,18-42)23(37)12-15-39(24,7)40(21,8)17-25(41)43/h9-10,22-32,35,42-48H,11-19H2,1-8H3,(H,49,50)/b20-9+/t22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,35+,37-,38-,39+,40+,41-/m0/s1
- InChI Key： OMWZCLUNZCIVBN-LHNBZPRDSA-N
- SMILES： O[C@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@@H]([C@@](C)(CO)[C@@H]4CC[C@]32C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O)O)O)[C@@H]2CC(C)(C)[C@H]([C@@H]([C@@]21COC(/C(=C/C)/C)=O)O)O
Computed Properties
- Exact Mass: 764.43469209g/mol
- Monoisotopic Mass: 764.43469209g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 54
- Rotatable Bond Count: 8
- Complexity: 1540
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 17
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 224
- XLogP3: 3.3
Gymnemic acid xiv Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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