200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 149950-20-9
149950-20-9 | Androstan-3-one, 4,5-epoxy-17-hydroxy-2-(methylsulfonyl)-, (2β,4α,5α,17β)- (9CI)
CAS No: 149950-20-9 Catalog No: AG001M5V MDL No:
Product Description
Catalog Number:
AG001M5V
Chemical Name:
Androstan-3-one, 4,5-epoxy-17-hydroxy-2-(methylsulfonyl)-, (2β,4α,5α,17β)- (9CI)
CAS Number:
149950-20-9
Molecular Formula:
C20H30O5S
Molecular Weight:
382.5142
IUPAC Name:
(1S,2R,4S,6R,11S,12S,15S,16S)-15-hydroxy-2,16-dimethyl-4-methylsulfonyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-5-one
InChI:
InChI=1S/C20H30O5S/c1-18-8-7-13-11(12(18)4-5-15(18)21)6-9-20-17(25-20)16(22)14(26(3,23)24)10-19(13,20)2/h11-15,17,21H,4-10H2,1-3H3/t11-,12-,13-,14-,15-,17-,18-,19+,20?/m0/s1
InChI Key:
FELAYLQGNMVPPT-VOEWCHSQSA-N
SMILES:
O=C1[C@H](C[C@]2([C@]3([C@@H]1O3)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C)S(=O)(=O)C
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
382.181g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.515g/mol
Monoisotopic Mass:
382.181g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Keto/enol epoxy steroids: a new structural class of HIV-1 Tat inhibitors. | Journal of medicinal chemistry 19930903 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.