200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 184972-12-1
184972-12-1 | Spiro[androsta-1,4-diene-6,2'-oxirane]-3,17-dione
CAS No: 184972-12-1 Catalog No: AG003BZ4 MDL No:MFCD19442795
Product Description
Catalog Number:
AG003BZ4
Chemical Name:
Spiro[androsta-1,4-diene-6,2'-oxirane]-3,17-dione
CAS Number:
184972-12-1
Molecular Formula:
C20H24O3
Molecular Weight:
312.4028
MDL Number:
MFCD19442795
IUPAC Name:
(8R,9S,10R,13S,14S)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,2'-oxirane]-3,17-dione
InChI:
InChI=1S/C20H24O3/c1-18-7-5-12(21)9-16(18)20(11-23-20)10-13-14-3-4-17(22)19(14,2)8-6-15(13)18/h5,7,9,13-15H,3-4,6,8,10-11H2,1-2H3/t13-,14-,15-,18+,19-,20?/m0/s1
InChI Key:
GFNJDRLFFJDJAC-YCNUYBHRSA-N
SMILES:
O=C1C=C[C@]2(C(=C1)C1(OC1)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Properties
Complexity:
689
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
312.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.173g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.