200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114611-55-1
114611-55-1 | Androsta-4,16-diene-3,6-dione (9CI)
CAS No: 114611-55-1 Catalog No: AG000ETS MDL No:
Product Description
Catalog Number:
AG000ETS
Chemical Name:
Androsta-4,16-diene-3,6-dione (9CI)
CAS Number:
114611-55-1
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
IUPAC Name:
(8S,9S,10R,13R,14S)-10,13-dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
InChI:
InChI=1S/C19H24O2/c1-18-7-3-4-14(18)13-11-17(21)16-10-12(20)5-9-19(16,2)15(13)6-8-18/h3,7,10,13-15H,4-6,8-9,11H2,1-2H3/t13-,14-,15-,18-,19+/m0/s1
InChI Key:
GOJSMZGIOCBZMX-UNTXSKPGSA-N
SMILES:
O=C1CC[C@]2(C(=C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C)C
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.