Cas no 123123-41-1 (Pregn-5-ene-3,16-diol,20-[(2R,5R)-5-methyl-2-piperidinyl]-, (3b,16a,20S)- (9CI))
![Pregn-5-ene-3,16-diol,20-[(2R,5R)-5-methyl-2-piperidinyl]-, (3b,16a,20S)- (9CI) structure](https://ossimg.kuujia.com/scimg/123500/123123-41-1x500.png)
123123-41-1 structure
Product Name:Pregn-5-ene-3,16-diol,20-[(2R,5R)-5-methyl-2-piperidinyl]-, (3b,16a,20S)- (9CI)
CAS No:123123-41-1
MF:C27H45NO2
MW:415.651708364487
CID:167544
PubChem ID:129899
Update Time:2025-04-19
Pregn-5-ene-3,16-diol,20-[(2R,5R)-5-methyl-2-piperidinyl]-, (3b,16a,20S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pregn-5-ene-3,16-diol,20-[(2R,5R)-5-methyl-2-piperidinyl]-, (3b,16a,20S)- (9CI)
- (3S,8S,9S,10R,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(2R,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
- capsimine
- (3beta,16alpha)-17-{(1S)-1-[(2R,5R)-5-methylpiperidin-2-yl]ethyl}androst-5-ene-3,16-diol
- 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16alpha,25beta)-
- 22,26-Epiminocholest-5-ene-3,16-diol
- 123123-41-1
- DTXSID00924378
- 20-(5-Methylpiperidin-2-yl)pregn-5-ene-3,16-diol
-
- Inchi： 1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17?,19+,20-,21+,22+,23-,24-,25?,26+,27+/m1/s1
- InChI Key： IRRHFODGOMSPEE-CFZCWGGQSA-N
- SMILES： O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)C1C(C)[C@H]1CC[C@@H](C)CN1)O
Computed Properties
- Exact Mass: 415.345029678g/mol
- Monoisotopic Mass: 415.345029678g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 2
- Complexity: 690
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 52.5?2
Pregn-5-ene-3,16-diol,20-[(2R,5R)-5-methyl-2-piperidinyl]-, (3b,16a,20S)- (9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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