Cas no 33530-84-6 (Pregn-5-ene-7,20-dione,3-hydroxy-, (3b)-)
33530-84-6 structure
Product Name:Pregn-5-ene-7,20-dione,3-hydroxy-, (3b)-
CAS No:33530-84-6
MF:C21H30O3
MW:330.461106777191
CID:305773
PubChem ID:134972
Update Time:2025-04-19
Pregn-5-ene-7,20-dione,3-hydroxy-, (3b)- Chemical and Physical Properties
Names and Identifiers
-
- Pregn-5-ene-7,20-dione,3-hydroxy-, (3b)-
- pregn-5-ene-7,20-dione, 3-hydroxy-, (3beta)-
- 3-beta-Hydroxypregn-5-ene-7,20-dione
- Pregn-5-ene-7,20-dione, 3-beta-hydroxy-
- 5-Pregnen-3beta-ol-7,20-dione
- 3beta-hydroxy-5-pregnen-7,20-dione
- CHEBI:183807
- 7-oxopregnenolone
- 5-Pregnen-3.beta.-ol-7,20-dione
- 3beta-hydroxy-5-pregnene-7,20-dione
- DTXSID10955153
- 3-Hydroxypregn-5-ene-7,20-dione #
- 33530-84-6
- WNHLZNUVEVVTSY-GVQHXQKQSA-N
- 3-Hydroxypregn-5-ene-7,20-dione
- 7-Ketopregnenolone
- SCHEMBL7064356
- Pregn-5-ene-7,20-dione, 3-hydroxy-, (3-beta)-
- 3beta-hydroxypregn-5-ene-7,20-dione
-
- Inchi： 1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-17,19,23H,4-10H2,1-3H3/t14-,15+,16-,17-,19-,20-,21+/m0/s1
- InChI Key： WNHLZNUVEVVTSY-GVQHXQKQSA-N
- SMILES： O=C1C=C2C[C@H](CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(C)=O)CC[C@H]3[C@@H]21)O
Computed Properties
- Exact Mass: 330.2196
- Monoisotopic Mass: 330.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 621
- 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: 3
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.15
- Boiling Point: 489.1°Cat760mmHg
- Flash Point: 263.7°C
- Refractive Index: 1.557
- PSA: 54.37
- LogP: 3.69430
Pregn-5-ene-7,20-dione,3-hydroxy-, (3b)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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