Cas no 128053-62-3 (Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,5-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,5β,10β)-)
128053-62-3 structure
Product Name:Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,5-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,5β,10β)-
CAS No:128053-62-3
MF:C19H22O6
MW:346.374386310577
CID:175475
PubChem ID:101618976
Update Time:2024-03-01
Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,5-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,5β,10β)- Chemical and Physical Properties
Names and Identifiers
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- Gibb-3-ene-1,10-dicarboxylicacid, 2,4a,5-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,2b,4aa,4bb,5b,10b)-
- 11b-Hydroxygibberellin A7
- GA80
- Gibberellin A80
- Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,5-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,5β,10β)-
-
- Inchi： 1S/C19H22O6/c1-8-6-18-7-9(8)5-10(20)13(18)19-4-3-11(21)17(2,16(24)25-19)14(19)12(18)15(22)23/h3-4,9-14,20-21H,1,5-7H2,2H3,(H,22,23)/t9-,10+,11+,12-,13-,14-,17-,18-,19-/m1/s1
- InChI Key： ITIKZMJAVWOFFK-DMQYUYNFSA-N
- SMILES： O1C([C@]2(C)[C@H](C=C[C@]31[C@@H]2[C@H](C(=O)O)[C@]12CC(=C)[C@H](C[C@@H]([C@H]13)O)C2)O)=O
Computed Properties
- Exact Mass: 346.14163842g/mol
- Monoisotopic Mass: 346.14163842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 757
- 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: 0.5
- Topological Polar Surface Area: 104?2
Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,5-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,5β,10β)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
128053-62-3 (Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,5-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,4aα,4bβ,5β,10β)-) Related Products
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