Cas no 14646-73-2 (Pregn-7-en-20-one,3-(acetyloxy)-, (3b,5a)- (9CI))
14646-73-2 structure
Product Name:Pregn-7-en-20-one,3-(acetyloxy)-, (3b,5a)- (9CI)
CAS No:14646-73-2
MF:C23H34O3
MW:358.514267444611
CID:222054
PubChem ID:228156
Update Time:2025-04-19
Pregn-7-en-20-one,3-(acetyloxy)-, (3b,5a)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Pregn-7-en-20-one,3-(acetyloxy)-, (3b,5a)- (9CI)
- 5a-Pregn-7-en-20-one, 3b-hydroxy-, acetate (6CI,8CI)
- NSC20797
- 14646-73-2
- NSC-20797
-
- Inchi： 1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h6,16-17,19-21H,5,7-13H2,1-4H3/t16-,17-,19+,20-,21-,22-,23+/m0/s1
- InChI Key： RKUGQNVJEOJTPM-PHZNQTIWSA-N
- SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1)CC=C1[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)CC[C@H]21
Computed Properties
- Exact Mass: 358.25100
- Monoisotopic Mass: 358.251
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 650
- 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: 4.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 1.09
- Boiling Point: 452.9°C at 760 mmHg
- Flash Point: 194.2°C
- Refractive Index: 1.533
- PSA: 43.37000
- LogP: 5.08610
Pregn-7-en-20-one,3-(acetyloxy)-, (3b,5a)- (9CI) Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
14646-73-2 (Pregn-7-en-20-one,3-(acetyloxy)-, (3b,5a)- (9CI)) Related Products
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