Cas no 502849-03-8 (Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7beta)- (9CI))
502849-03-8 structure
Product Name:Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7beta)- (9CI)
CAS No:502849-03-8
MF:C19H28O3
MW:304.423826217651
CID:1022330
PubChem ID:12011802
Update Time:2025-04-20
Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7beta)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7beta)- (9CI)
- DTXSID60475790
- (3R,7R,8R,9S,10R,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
- SCHEMBL1952526
- 502849-03-8
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- Inchi： 1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13+,14+,15+,17+,18+,19+/m1/s1
- InChI Key： OLPSAOWBSPXZEA-DYXPHYEZSA-N
- SMILES： O[C@H]1C=C2C[C@@H](CC[C@]2(C)[C@H]2CC[C@]3(C)C(CC[C@H]3[C@@H]21)=O)O
Computed Properties
- Exact Mass: 304.20384475g/mol
- 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: 539
- 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: 2.1
- Topological Polar Surface Area: 57.5?2
Androst-5-en-17-one, 3,7-dihydroxy-, (3alpha,7beta)- (9CI) Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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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
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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