200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13952-05-1
13952-05-1 | Pregna-1,4-dien-20-yn-3-one, 11,17-dihydroxy-, (11β,17α)-
CAS No: 13952-05-1 Catalog No: AG001B72 MDL No:
Product Description
Catalog Number:
AG001B72
Chemical Name:
Pregna-1,4-dien-20-yn-3-one, 11,17-dihydroxy-, (11β,17α)-
CAS Number:
13952-05-1
Molecular Formula:
C21H26O3
Molecular Weight:
326.4293
IUPAC Name:
17-ethynyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H26O3/c1-4-21(24)10-8-16-15-6-5-13-11-14(22)7-9-19(13,2)18(15)17(23)12-20(16,21)3/h1,7,9,11,15-18,23-24H,5-6,8,10,12H2,2-3H3
InChI Key:
IMVRRRQPUUOMNB-UHFFFAOYSA-N
SMILES:
C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC(O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
NSC Number:
109504
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.188g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.436g/mol
Monoisotopic Mass:
326.188g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.