Cas no 7690-08-6 (19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI))
7690-08-6 structure
Product Name:19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI)
CAS No:7690-08-6
MF:C21H28O3
MW:328.445226669312
CID:579517
PubChem ID:11823650
Update Time:2025-04-19
19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI)
- 16-Methylene-17a-hydroxy-19-norpregn-4-ene-3,20-dione; Segesterone
- UNII-09Q5UV3747
- 19-Norpregn-4-ene-3,20-dione, 17-hydroxy-16-methylene-
- (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-13-methyl-16-methylidene-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-one
- Q24882947
- SCHEMBL7053392
- SEGESTERONE [WHO-DD]
- 17alpha-Deacetyl-Nestorone
- DB14584
- DTXSID00998190
- 7690-08-6
- Nestorone alcohol
- Segesterone (USAN/INN)
- Segesterone [USAN:INN]
- SEGESTERONE [USAN]
- 09Q5UV3747
- Segesterone [INN]
- 17-Hydroxy-16-methylene-19-norpregn-4-ene-3,20-dione
- D10987
- CHEMBL2107778
- Segesterone
-
- Inchi: 1S/C21H28O3/c1-12-10-19-18-6-4-14-11-15(23)5-7-16(14)17(18)8-9-20(19,3)21(12,24)13(2)22/h11,16-19,24H,1,4-10H2,2-3H3/t16-,17+,18+,19-,20-,21-/m0/s1
- InChI Key: SFLXYFZGKSGFKA-XUDSTZEESA-N
- SMILES: O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3CCC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 328.20384475g/mol
- Monoisotopic Mass: 328.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 660
- 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
- XLogP3: 2.3
- Topological Polar Surface Area: 54.4?2
19-Norpregn-4-ene-3,20-dione,17-hydroxy-16-methylene- (7CI,8CI,9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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