Cas no 14507-45-0 (Gona-1,3,5(10),8,14-pentaen-17-ol,13-ethyl-3-methoxy-, (17b)-)
14507-45-0 structure
Product Name:Gona-1,3,5(10),8,14-pentaen-17-ol,13-ethyl-3-methoxy-, (17b)-
CAS No:14507-45-0
MF:C20H24O2
MW:296.403366088867
CID:177720
PubChem ID:15713345
Update Time:2025-04-19
Gona-1,3,5(10),8,14-pentaen-17-ol,13-ethyl-3-methoxy-, (17b)- Chemical and Physical Properties
Names and Identifiers
-
- Gona-1,3,5(10),8,14-pentaen-17-ol,13-ethyl-3-methoxy-, (17b)-
- (13S-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenantren-17-ol
- (13S-cis)-13-Ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta(a)phenantren-17-ol
- 13-ethyl-3-methoxy-7,11,12,13,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-ol (non-preferred name)
- Einecs 238-512-3
- (13S,17S)-13-Ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenanthren-17-ol
- (13S,17S)-13-ethyl-3-methoxy-6,7,11,12,16,17-hexahydrocyclopenta[a]phenanthren-17-ol
- (17beta)-13-Ethyl-3-methoxygona-1,3,5(10),8,14-pentaen-17-ol
- 14507-45-0
- DTXSID101195146
- SCHEMBL11866986
-
- Inchi： 1S/C20H24O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7-8,12,19,21H,3-4,6,9-11H2,1-2H3/t19-,20-/m0/s1
- InChI Key： ZJQGGFJSKJQCBD-PMACEKPBSA-N
- SMILES： O[C@H]1CC=C2C3CCC4C=C(C=CC=4C=3CC[C@]12CC)OC
Computed Properties
- Exact Mass: 296.17772
- Monoisotopic Mass: 296.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 518
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Gona-1,3,5(10),8,14-pentaen-17-ol,13-ethyl-3-methoxy-, (17b)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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