Cas no 2066-43-5 ((3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2''-oxiran]-17-ol)
![(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2''-oxiran]-17-ol structure](https://ossimg.kuujia.com/scimg/2500/2066-43-5x500.png)
2066-43-5 structure
Product Name:(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2''-oxiran]-17-ol
CAS No:2066-43-5
MF:C20H32O2
MW:304.466886520386
CID:910231
PubChem ID:3081974
Update Time:2025-04-19
(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2''-oxiran]-17-ol Chemical and Physical Properties
Names and Identifiers
-
- (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2''-oxiran]-17-ol
- Spiro(androstane-3,2'-oxiran)-17-ol, (3beta,5alpha,17beta)-
- Spiro-3-oxiranyl-5alpha-androstan-17beta-ol
- Spiro(5alpha-androstane-3,2'-oxiran)-17beta-ol
- NSC 89840
- 2066-43-5
- Spiro-3-oxiranylandrostan-17-ol
- SCHEMBL17688244
-
- Inchi： 1S/C20H32O2/c1-18-9-10-20(12-22-20)11-13(18)3-4-14-15-5-6-17(21)19(15,2)8-7-16(14)18/h13-17,21H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-,20?/m0/s1
- InChI Key： YCSDPVROPBHVSJ-FNGXJMDNSA-N
- SMILES： O1CC21CC[C@@]1(C)[C@H](C2)CC[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]12)O
Computed Properties
- Exact Mass: 304.24036
- Monoisotopic Mass: 304.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 490
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 32.8?2
Experimental Properties
- PSA: 32.76
(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2''-oxiran]-17-ol Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
2066-43-5 ((3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2''-oxiran]-17-ol) Related Products
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