Cas no 1164-92-7 (Androstan-3-one,17-(acetyloxy)-, (5b,17b)-)
1164-92-7 structure
Product Name:Androstan-3-one,17-(acetyloxy)-, (5b,17b)-
CAS No:1164-92-7
MF:C21H32O3
MW:332.476986885071
CID:180450
PubChem ID:224447
Update Time:2025-04-19
Androstan-3-one,17-(acetyloxy)-, (5b,17b)- Chemical and Physical Properties
Names and Identifiers
-
- Androstan-3-one,17-(acetyloxy)-, (5b,17b)-
- (5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
- 112GI010
- 17-Acetoxy-5?-androsta-2,16-diene
- ADN030
- AK-50735
- FT-0695986
- I14-20257
- NSC12878
- 17 beta-Acetoxy-5 alpha-androstan-3-one
- NSC-12878
- EC 601-431-2
- DTXSID50893661
- ILCTUFVQFCIIDS-KRUBMYLRSA-N
- NSC 12878
- 17.beta.-Acetoxy-5.beta.-androstan-3-one
- NS00001513
- Androstan-3-one, 17-(acetyloxy)-, (5.beta.,17.beta.)-
- 1164-92-7
-
- Inchi： 1S/C21H32O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17+,18+,19+,20+,21+/m1/s1
- InChI Key： ILCTUFVQFCIIDS-KRUBMYLRSA-N
- SMILES： O(C(C)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(C[C@H]3CC[C@H]12)=O
Computed Properties
- Exact Mass: 332.23500
- Monoisotopic Mass: 332.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 555
- 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: 4.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 1.09
- Melting Point: 145-147℃
- Boiling Point: 424.6°Cat760mmHg
- Flash Point: 182.8°C
- Refractive Index: 1.527
- PSA: 43.37000
- LogP: 4.52990
Androstan-3-one,17-(acetyloxy)-, (5b,17b)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
1164-92-7 (Androstan-3-one,17-(acetyloxy)-, (5b,17b)-) Related Products
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- 7779-73-9(Isobornyl isovalerate)
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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