Cas no 195729-55-6 (2,4-Dodecadienamide,N-[(3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-,(2E,4E,6R)-)
![2,4-Dodecadienamide,N-[(3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-,(2E,4E,6R)- structure](https://ossimg.kuujia.com/scimg/196000/195729-55-6x500.png)
195729-55-6 structure
Product Name:2,4-Dodecadienamide,N-[(3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-,(2E,4E,6R)-
CAS No:195729-55-6
MF:C23H31Cl2NO4
MW:456.402545213699
CID:223239
Update Time:2024-03-01
2,4-Dodecadienamide,N-[(3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-,(2E,4E,6R)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Dodecadienamide,N-[(3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-,(2E,4E,6R)-
- 2,4-Dodecadienamide,N-(7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl)-4,6-dimethyl-,[3S(2E,4E)]-[partial]-
- Gymnastatin A
- 2,4-Dodecadienamide, N-[(3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-, (2E,4E,6R)-
- Gymnastatin-A2
-
- Inchi： 1S/C23H31Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-20(27)26-19-14-23(30-22(19)29)12-17(24)21(28)18(25)13-23/h9-13,15,19,22,29H,4-8,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,19+,22?/m1/s1
- InChI Key： NGXMXBNROHVABT-SFZUPXHJSA-N
- SMILES： C(N[C@H]1CC2(C=C(Cl)C(=O)C(Cl)=C2)OC1O)(=O)/C=C/C(/C)=C/[C@H](C)CCCCCC
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- XLogP3: 6.755
2,4-Dodecadienamide,N-[(3S)-7,9-dichloro-2-hydroxy-8-oxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-4,6-dimethyl-,(2E,4E,6R)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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