Cas no 20248-18-4 (Pregna-1,4-diene-20-carboxylicacid, 3-oxo-, (20S)-)
20248-18-4 structure
Product Name:Pregna-1,4-diene-20-carboxylicacid, 3-oxo-, (20S)-
CAS No:20248-18-4
MF:C22H30O3
MW:342.471807003021
CID:273789
PubChem ID:167889
Update Time:2025-04-19
Pregna-1,4-diene-20-carboxylicacid, 3-oxo-, (20S)- Chemical and Physical Properties
Names and Identifiers
-
- Pregna-1,4-diene-20-carboxylicacid, 3-oxo-, (20S)-
- (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
- 3-keto-23,24-bisnorchola-1,4-dien-22-oic acid
- 3-oxo-23,24-dinorchola-1,4-dien-22-oic acid
- 11-Bcpo
- (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid
- 20-Carboxy-1,4-pregnadien-3-one
- Pregna-1,4-diene-20-carboxylic acid, 3-oxo-, (20S)-
- 3-keto-23,24-dinorchola-1,4-dien-22-oic acid
- Q27158789
- 3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid
- 20248-18-4
- DTXSID401250238
- A816672
- SCHEMBL11202717
- CHEBI:85911
-
- Inchi： 1S/C22H30O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1
- InChI Key： OZESBBVMFLIODA-WAMTXRNCSA-N
- SMILES： OC([C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3CC[C@@]21C)=O)=O
Computed Properties
- Exact Mass: 342.21949481g/mol
- Monoisotopic Mass: 342.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 675
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 54.4?2
Pregna-1,4-diene-20-carboxylicacid, 3-oxo-, (20S)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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