Cas no 2922-24-9 (Gibberellin A13)
Gibberellin A13 structure
Product Name:Gibberellin A13
Gibberellin A13 Chemical and Physical Properties
Names and Identifiers
-
- Gibbane-1,4a,10-tricarboxylicacid, 2-hydroxy-1-methyl-8-methylene-, (1a,2b,4aa,4bb,10b)-
- (1α,2β,4aα,4bβ,10β)-2-Hydroxy-1-methyl-8-methylenegibbane-1,4a,10 -tricarboxylic acid
- [(3,3,3-triethoxypropyl)sulfonyl]benzene
- AC1MBY5V
- AG-F-35527
- CTK1C6747
- Ghosez Reagent
- Gibberellin A(13)
- gibberellin GA13
- SBB017013
- SureCN3172035
- CID 133126448
- Gibberellin A13
- 2β-Hydroxy-1β-methyl-8-methylenegibbane-1α,4aα,10β-tricarboxylic acid
- (1S,2S,4aR,4bR,7R,9aR,10S,10aS)-2-hydroxy-1-methyl-8-methylenedodecahydro-1H-7,9a-methanobenzo[a]azulene-1,4a,10-tricarboxylic acid
- GA13
- Gibbane-1,4a,10-tricarboxylic acid, 2-hydroxy-1-methyl-8-methylene-, (1α,2β,4aα,4bβ,10β)-
- Q27140004
- (1 alpha,2 beta,4a alpha,4b beta,10 beta)-2-Hydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid
- Gibberellin A13
- (1R, 2S, 3S, 4S, 5S, 8R, 9R, 12R)-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01, 9.03, 8]pentadecane-2, 4, 8-tricarboxylic acid
- (1S,2S,4aR,4bR,7R,9aR,10S,10aS)-2-hydroxy-1-methyl-8-methylenedodecahydro-4aH-7,9a-methanobenzo[a]azulene-1,4a,10-tricarboxylic acid
- (1alpha,2beta,4aalpha,4bbeta,10beta)-2-hydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid
- SCHEMBL10779830
- DTXSID201033931
- (1R,2S,3S,4S,5S,8R,9R,12R)-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
- 2922-24-9
- CHEBI:72598
-
- Inchi： 1S/C20H26O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11+,12-,13+,14+,18+,19-,20+/m0/s1
- InChI Key： UYRCHWLYXIQJKK-LDOIQBOFSA-N
- SMILES： O[C@H]1CC[C@]2(C(=O)O)[C@@H]([C@@]1(C(=O)O)C)[C@H](C(=O)O)[C@]13CC(=C)[C@@H](CC[C@H]12)C3
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: 759
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 132
- XLogP3: 1.8
Experimental Properties
- Density: 1.44±0.1 g/cm3(Predicted)
- Boiling Point: 545.2±50.0 °C(Predicted)
- pka: 4.07±0.70(Predicted)
Gibberellin A13 Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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