Cas no 2394-44-7 (Pregnan-20-one,3-(acetyloxy)-, (3b,5b)-)
2394-44-7 structure
Product Name:Pregnan-20-one,3-(acetyloxy)-, (3b,5b)-
Pregnan-20-one,3-(acetyloxy)-, (3b,5b)- Chemical and Physical Properties
Names and Identifiers
-
- Pregnan-20-one,3-(acetyloxy)-, (3b,5b)-
- Pregnan-3.β.-ol-20-one acetate
- 20-Oxopregnan-3-yl acetate
- pregnan-20-one, 3-(acetyloxy)-
- NSC166497
- NSC-166497
- 2394-44-7
- SCHEMBL19733059
- 3alpha-Acetyloxy-5alpha-pregnan-20-one
- 20-OXO-5-BETA-PREGNAN-3-BETA-YL ACETATE
- Pregnan-3.beta.-ol-20-one acetate
- 5.beta.-Pregnan-20-one, acetate
- DTXSID30946760
-
- Inchi： 1S/C23H36O3/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/h16-21H,5-13H2,1-4H3
- InChI Key： GFHOQCXDABGYAL-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1CCC2(C)C(C1)CCC1C3CCC(C(C)=O)C3(C)CCC12
Computed Properties
- Exact Mass: 360.26658
- Monoisotopic Mass: 360.26644501g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 598
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Pregnan-20-one,3-(acetyloxy)-, (3b,5b)- Related Literature
-
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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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