Cas no 147934-05-2 (Gymnemic acid X)
Gymnemic acid X structure
Product Name:Gymnemic acid X
CAS No:147934-05-2
MF:C38H60O13
MW:724.875213623047
CID:139504
PubChem ID:15674686
Update Time:2024-03-01
Gymnemic acid X Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-28-(acetyloxy)-16,21,22,23-tetrahydroxyolean-12-en-3-yl(9CI)
- Gymnemic acid X
- Oleanane,b-D-glucopyranosiduronic acidderiv.
- URT0T4RCJX
- Gymnemic acid X (constituent of gymnema) [DSC]
- Q27291229
- 147934-05-2
- .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-28-(ACETYLOXY)-16,21,22,23-TETRAHYDROXYOLEAN-12-EN-3-YL
- Gymnemic acid X (constituent of gymnema)
- beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-28-(acetyloxy)-16,21,22,23-tetrahydroxyolean-12-en-3-yl
- UNII-URT0T4RCJX
-
- Inchi： 1S/C38H60O13/c1-18(40)49-17-38-20(14-33(2,3)29(45)30(38)46)19-8-9-22-34(4)12-11-24(50-32-27(44)25(42)26(43)28(51-32)31(47)48)35(5,16-39)21(34)10-13-36(22,6)37(19,7)15-23(38)41/h8,20-30,32,39,41-46H,9-17H2,1-7H3,(H,47,48)/t20-,21+,22+,23-,24-,25-,26-,27+,28-,29-,30-,32+,34-,35-,36+,37+,38-/m0/s1
- InChI Key： UICISBFFBJCOCZ-QPRBSCFXSA-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)=O)O)O
Computed Properties
- Exact Mass: 724.40339196g/mol
- Monoisotopic Mass: 724.40339196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 51
- Rotatable Bond Count: 7
- Complexity: 1420
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 17
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 224
- XLogP3: 2.1
Gymnemic acid X Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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