Cas no 1048-86-8 (Pregn-4-ene-3,20-dione,11b-hydroxy-12a-methyl- (7CI,8CI))
1048-86-8 structure
Product Name:Pregn-4-ene-3,20-dione,11b-hydroxy-12a-methyl- (7CI,8CI)
CAS No:1048-86-8
MF:C22H32O3
MW:344.487687110901
CID:228297
PubChem ID:248319
Update Time:2025-04-19
Pregn-4-ene-3,20-dione,11b-hydroxy-12a-methyl- (7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-4-ene-3,20-dione,11b-hydroxy-12a-methyl- (7CI,8CI)
- 17-acetyl-11-hydroxy-10,12,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- NSC65034
- DTXSID50909216
- NSC65107
- 6957-80-8
- NSC-65107
- NCIOpen2_008111
- NSC-65034
- 11-hydroxy-12-methylpregn-4-ene-3,20-dione
- NCIOpen2_008033
- 1048-86-8
-
- Inchi： 1S/C22H32O3/c1-12-20(25)19-16(18-8-7-17(13(2)23)22(12,18)4)6-5-14-11-15(24)9-10-21(14,19)3/h11-12,16-20,25H,5-10H2,1-4H3
- InChI Key： JLOPYNSMWUXMEO-UHFFFAOYSA-N
- SMILES： OC1C(C)C2(C)C(C(C)=O)CCC2C2CCC3=CC(CCC3(C)C21)=O
Computed Properties
- Exact Mass: 344.23526
- Monoisotopic Mass: 344.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 650
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Pregn-4-ene-3,20-dione,11b-hydroxy-12a-methyl- (7CI,8CI) Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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