Cas no 4192-93-2 (Pregna-1,4,6-triene-3,20-dione)
4192-93-2 structure
Product Name:Pregna-1,4,6-triene-3,20-dione
CAS No:4192-93-2
MF:C21H26O2
MW:310.429946422577
CID:2666236
PubChem ID:23239835
Update Time:2024-02-29
Pregna-1,4,6-triene-3,20-dione Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4,6-triene-3,20-dione
- OKUWFSWDZQMETE-LEKSSAKUSA-N
-
- Inchi： 1S/C21H26O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,8,10,12,16-19H,6-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
- InChI Key： OKUWFSWDZQMETE-LEKSSAKUSA-N
- SMILES： O=C(C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(C=C[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 310.193280068g/mol
- Monoisotopic Mass: 310.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 667
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.1
- XLogP3: 4
Pregna-1,4,6-triene-3,20-dione Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Gluco/mineralocorticoids, progestogins and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids Gluco/mineralocorticoids, progestogins and derivatives
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