Cas no 18411-79-5 ((1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1-methyl-8-methylidenegibbane-1,4a,10-tricarboxylic acid)
18411-79-5 structure
Product Name:(1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1-methyl-8-methylidenegibbane-1,4a,10-tricarboxylic acid
CAS No:18411-79-5
MF:C20H26O7
MW:378.416246891022
CID:1382177
PubChem ID:5460657
Update Time:2024-02-29
(1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1-methyl-8-methylidenegibbane-1,4a,10-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- gibbane-1,4a,10-tricarboxylic acid, 7-hydroxy-1-methyl-8-methylene-, (1alpha,4aalpha,4bbeta,10beta)-
- (1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1-methyl-8-methylidenegibbane-1,4a,10-tricarboxylic acid
- 7-Hydroxy-1β-methyl-8-methylenegibbane-1α,4aα,10β-tricarboxylic acid
- Gibberellin A17
- GA17
- CHEBI:24236
- (1alpha,4aalpha,4bbeta,10beta)-7-Hydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid
- DTXSID901132590
- (1S,2S,3R,4R,8R,9R,12S)-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid
- LMPR0104170034
- 7alpha-hydroxy-1beta-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,4a,10beta-tricarboxylic acid
- gibberellin 17
- Q27109837
- 18411-79-5
- 12-Hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
-
- Inchi： 1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,17-,18+,19+,20-/m1/s1
- InChI Key： AUKMHZZVLPQAOX-CDNFTCFOSA-N
- SMILES： O([H])[C@]12C(=C([H])[H])C([H])([H])[C@@]3(C1([H])[H])[C@@]([H])(C(=O)O[H])[C@]1([H])[C@@](C(=O)O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]1(C(=O)O[H])[C@]3([H])C([H])([H])C2([H])[H]
Computed Properties
- Exact Mass: 378.16785316g/mol
- Monoisotopic Mass: 378.16785316g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 774
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 132?2
(1alpha,4aalpha,4bbeta,10beta)-7-hydroxy-1-methyl-8-methylidenegibbane-1,4a,10-tricarboxylic acid Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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