Cas no 2747-16-2 (Estr-4-en-3-one, 4,17b-dihydroxy-17-methyl- (7CI,8CI))
2747-16-2 structure
Product Name:Estr-4-en-3-one, 4,17b-dihydroxy-17-methyl- (7CI,8CI)
CAS No:2747-16-2
MF:C19H28O3
MW:304.423826217651
CID:279210
PubChem ID:69249407
Update Time:2025-04-19
Estr-4-en-3-one, 4,17b-dihydroxy-17-methyl- (7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Estr-4-en-3-one, 4,17b-dihydroxy-17-methyl- (7CI,8CI)
- 4,17-dihydroxy-13,17-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
- AC1L6YVH
- FI 5935
- NSC522770
- 17Alpha-methyl-4-hydroxynandrolone
- NSC-522770
- ESTR-4-EN-3-one, 4,17beta-dihydroxy-17-methyl-
- DB01540
- 17.ALPHA.-METHYL-4-HYDROXYNANDROLONE
- Q27092789
- ESTR-4-EN-3-ONE, 4,17.BETA.-DIHYDROXY-17-METHYL-
- AL9HUA7C4C
- SCHEMBL4940396
- PD008793
- NS00073735
- UNII-AL9HUA7C4C
- DTXSID70326022
- 4-Hydroxy-17alpha-methyl-19-nortestosterone
- 2747-16-2
- 4-Hydroxy-19-normethyltestosterone
- 4-HYDROXY-17.ALPHA.-METHYL-19-NORTESTOSTERONE
-
- Inchi： 1S/C19H28O3/c1-18-9-7-12-11-5-6-16(20)17(21)14(11)4-3-13(12)15(18)8-10-19(18,2)22/h11-13,15,21-22H,3-10H2,1-2H3/t11-,12-,13-,15+,18+,19+/m1/s1
- InChI Key： CLNUZOCYKSHICX-FAHHUNKHSA-N
- SMILES： O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=C(C(CC[C@@H]4[C@H]3CC[C@@]21C)=O)O
Computed Properties
- Exact Mass: 304.20394
- Monoisotopic Mass: 304.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 551
- 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: 2.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
- LogP: 3.76490
Estr-4-en-3-one, 4,17b-dihydroxy-17-methyl- (7CI,8CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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