Cas no 1922-49-2 ((3|a,16|a,17|a)-3-hydroxy-16,17-epoxypregn-5-en-20-one)
1922-49-2 structure
Product Name:(3|a,16|a,17|a)-3-hydroxy-16,17-epoxypregn-5-en-20-one
CAS No:1922-49-2
MF:C21H30O3
MW:330.461106777191
CID:907921
PubChem ID:227109
Update Time:2025-04-19
(3|a,16|a,17|a)-3-hydroxy-16,17-epoxypregn-5-en-20-one Chemical and Physical Properties
Names and Identifiers
-
- 16beta,17-Epoxy-3beta-hydroxy-17alpha-pregn-5-en-20-one
- a,16
- a,17
- AC1L5F9B
- AR-1A4974
- KST-1A2784
- NSC18310
- UNII-CAU97QO6T9
- CAU97QO6T9
- 16.BETA.,17-EPOXY-3.BETA.-HYDROXY-17.ALPHA.-PREGN-5-EN-20-ONE
- Q27275384
- NSC 18310
- DTXSID80172794
- NSC-18310
- 17.ALPHA.-PREGN-5-EN-20-ONE, 16.BETA.,17-EPOXY-3.BETA.-HYDROXY-
- NS00094796
- 1922-49-2
- PREGN-5-EN-20-ONE, 16,17-EPOXY-3-HYDROXY-, (3.BETA.,16.BETA.,17.ALPHA.)-
- (3|a,16|a,17|a)-3-hydroxy-16,17-epoxypregn-5-en-20-one
-
- Inchi： 1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1
- InChI Key： UQVIXFCYKBWZPJ-YRQPXTNQSA-N
- SMILES： O1[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]12C(C)=O)O
Computed Properties
- Exact Mass: 330.21900
- Monoisotopic Mass: 330.219
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 639
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- Density: 1.18
- Boiling Point: 462.3°C at 760 mmHg
- Flash Point: 159.4°C
- Refractive Index: 1.577
- PSA: 49.83000
- LogP: 3.64660
(3|a,16|a,17|a)-3-hydroxy-16,17-epoxypregn-5-en-20-one Related Literature
-
1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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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