Cas no 84876-00-6 (11-Oxapregna-1,4-diene-3,20-dione, 17,21-dihydroxy-)
84876-00-6 structure
Product Name:11-Oxapregna-1,4-diene-3,20-dione, 17,21-dihydroxy-
CAS No:84876-00-6
MF:C20H26O5
MW:346.417446613312
CID:989721
Update Time:2023-08-03
11-Oxapregna-1,4-diene-3,20-dione, 17,21-dihydroxy- Chemical and Physical Properties
Names and Identifiers
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- delta(1)-11-oxa-11-deoxycortisol
- 11-Odoc
- 11-Oxapregna-1,4-diene-3,20-dione, 17,21-dihydroxy-
-
- Inchi： 1S/C20H26O5/c1-18-7-5-13(22)9-12(18)3-4-14-15-6-8-20(24,16(23)10-21)19(15,2)11-25-17(14)18/h5,7,9,14-15,17,21,24H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17-,18-,19-,20-/m0/s1
- InChI Key： XKTYTTFSGKVSTC-MWTXUKJESA-N
- SMILES： O1C[C@]2(C)[C@@](C(CO)=O)(CC[C@H]2[C@@H]2CCC3=CC(C=C[C@]3(C)[C@@H]12)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 694
- Topological Polar Surface Area: 83.8
11-Oxapregna-1,4-diene-3,20-dione, 17,21-dihydroxy- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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