Cas no 77288-90-5 (2β,4aα,6α-Trihydroxy-1β-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone)
77288-90-5 structure
Product Name:2β,4aα,6α-Trihydroxy-1β-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone
CAS No:77288-90-5
MF:C19H24O6
MW:348.390266418457
CID:1783928
PubChem ID:101603124
Update Time:2024-03-01
2β,4aα,6α-Trihydroxy-1β-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone Chemical and Physical Properties
Names and Identifiers
-
- 2β,4aα,6α-Trihydroxy-1β-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone
- Gibberellin A58
- 77288-90-5
- DTXSID801108411
- Gibbane-1,10-dicarboxylic acid, 2,4a,6-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,6alpha,10beta)-
- GA58
- GA71
-
- Inchi： 1S/C19H24O6/c1-8-6-18-7-9(8)10(20)5-11(18)19-4-3-12(21)17(2,16(24)25-19)14(19)13(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12+,13-,14-,17-,18+,19-/m1/s1
- InChI Key： VFOHPKBOIYTDJT-CCGADRJDSA-N
- SMILES： O1C([C@]2(C)[C@H](CC[C@]31[C@@H]2[C@H](C(=O)O)[C@]12CC(=C)[C@H]([C@H](C[C@H]13)O)C2)O)=O
Computed Properties
- Exact Mass: 348.15728848g/mol
- Monoisotopic Mass: 348.15728848g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 717
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 104?2
2β,4aα,6α-Trihydroxy-1β-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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2. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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