Cas no 156158-91-7 (Pregn-8-ene-20-carboxylicacid, 4,4,14-trimethyl-3-oxo-, (5a,20S)- (9CI))
156158-91-7 structure
Product Name:Pregn-8-ene-20-carboxylicacid, 4,4,14-trimethyl-3-oxo-, (5a,20S)- (9CI)
CAS No:156158-91-7
MF:C25H38O3
MW:386.56742811203
CID:203277
PubChem ID:57357566
Update Time:2025-04-19
Pregn-8-ene-20-carboxylicacid, 4,4,14-trimethyl-3-oxo-, (5a,20S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-8-ene-20-carboxylicacid, 4,4,14-trimethyl-3-oxo-, (5a,20S)- (9CI)
- (2S)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
- Torulosic acid (steroid)
- Torulosicacid
- 2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-Pentamethyl-3-oxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)
- 156158-91-7
- DTXSID50723732
-
- Inchi： 1S/C25H38O3/c1-15(21(27)28)16-9-13-25(6)18-7-8-19-22(2,3)20(26)11-12-23(19,4)17(18)10-14-24(16,25)5/h15-16,19H,7-14H2,1-6H3,(H,27,28)/t15-,16+,19-,23+,24+,25-/m0/s1
- InChI Key： UECXJQGVBNBOBM-BHKNHISJSA-N
- SMILES： O=C1CC[C@@]2(C)[C@H](C1(C)C)CCC1=C2CC[C@]2(C)[C@@H]([C@@H](C(=O)O)C)CC[C@]21C
Computed Properties
- Exact Mass: 386.28224
- Monoisotopic Mass: 386.28209507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 2
- Complexity: 762
- 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: 5.4
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Pregn-8-ene-20-carboxylicacid, 4,4,14-trimethyl-3-oxo-, (5a,20S)- (9CI) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
156158-91-7 (Pregn-8-ene-20-carboxylicacid, 4,4,14-trimethyl-3-oxo-, (5a,20S)- (9CI)) Related Products
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