Cas no 34385-95-0 (Androst-4-en-3-one,17-[(aminocarbonyl)oxy]-, (17b)- (9CI))
![Androst-4-en-3-one,17-[(aminocarbonyl)oxy]-, (17b)- (9CI) structure](https://ossimg.kuujia.com/scimg/34500/34385-95-0x500.png)
34385-95-0 structure
Product Name:Androst-4-en-3-one,17-[(aminocarbonyl)oxy]-, (17b)- (9CI)
CAS No:34385-95-0
MF:C20H29NO3
MW:331.449166059494
CID:306215
PubChem ID:169602
Update Time:2025-04-19
Androst-4-en-3-one,17-[(aminocarbonyl)oxy]-, (17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androst-4-en-3-one,17-[(aminocarbonyl)oxy]-, (17b)- (9CI)
- 17beta-Aminocarbonyloxy-4-androsten-3-one
- 34385-95-0
- ACOAO
- [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] carbamate
- 3-Oxoandrost-4-en-17-yl hydrogen carbonimidate
- Androst-4-en-3-one, 17-((aminocarbonyl)oxy)-, (17beta)-
- DTXSID30955938
- SCHEMBL3366590
-
- Inchi： 1S/C20H29NO3/c1-19-9-7-13(22)11-12(19)3-4-14-15-5-6-17(24-18(21)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H2,21,23)/t14-,15-,16-,17-,19-,20-/m0/s1
- InChI Key： GKTMETNFCBIMLA-BGZMIMFDSA-N
- SMILES： O(C(N)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 331.21487
- Monoisotopic Mass: 331.215
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 612
- 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: 3.3
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- Density: 1.17
- Boiling Point: 503.7°Cat760mmHg
- Flash Point: 198.3°C
- Refractive Index: 1.562
- PSA: 69.39
Androst-4-en-3-one,17-[(aminocarbonyl)oxy]-, (17b)- (9CI) Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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