Cas no 90364-70-8 (4aα,6β-Dihydroxy-1-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone)
90364-70-8 structure
Product Name:4aα,6β-Dihydroxy-1-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone
CAS No:90364-70-8
MF:C19H24O5
MW:332.390866279602
CID:1950166
Update Time:2024-03-01
4aα,6β-Dihydroxy-1-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone Chemical and Physical Properties
Names and Identifiers
-
- 4aα,6β-Dihydroxy-1-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone
- Gibberellin A69
- Gibbane-1,10-dicarboxylic acid, 4a,6-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,4aα,4bβ,6β,10β)- (9CI)
- GA70
- GA69
-
- Inchi： 1S/C19H24O5/c1-9-7-18-8-10(9)11(20)6-12(18)19-5-3-4-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1
- InChI Key： IPHNMKITOREFLW-MHKXYFPYSA-N
- SMILES： O1C([C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]31[C@]2([H])[C@]([H])(C(=O)O[H])[C@]12C([H])([H])C(=C([H])[H])[C@]([H])([C@@]([H])(C([H])([H])[C@]13[H])O[H])C2([H])[H])=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- XLogP3: 1.065
4aα,6β-Dihydroxy-1-methyl-8-methylenegibbane-1α,10β-dicarboxylic acid 1,4a-lactone Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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