200,000+ products from a single source!

sales@angenechem.com

Home > Other Building Blocks > 149950-19-6

149950-19-6

149950-19-6 | Androst-2-ene-2-carboxamide, 4,5-epoxy-3,17-dihydroxy-, (4α,5α,17β)-

CAS No: 149950-19-6 Catalog No: AG001M5W MDL No:

Product Description

Catalog Number:
AG001M5W
Chemical Name:
Androst-2-ene-2-carboxamide, 4,5-epoxy-3,17-dihydroxy-, (4α,5α,17β)-
CAS Number:
149950-19-6
Molecular Formula:
C20H29NO4
Molecular Weight:
347.4486
IUPAC Name:
(1S,2R,11S,12S,16S)-5,15-dihydroxy-2,16-dimethyl-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadec-4-ene-4-carboxamide
InChI:
InChI=1S/C20H29NO4/c1-18-7-6-13-10(12(18)3-4-14(18)22)5-8-20-16(25-20)15(23)11(17(21)24)9-19(13,20)2/h10,12-14,16,22-23H,3-9H2,1-2H3,(H2,21,24)/t10-,12-,13-,14?,16?,18-,19+,20?/m0/s1
InChI Key:
RSGSNGFUKZTCGU-ZTDKVZALSA-N
SMILES:
NC(=O)C1=C(O)[C@@H]2[C@]3([C@@](C1)(C)[C@H]1CC[C@]4([C@H]([C@@H]1CC3)CC[C@@H]4O)C)O2

Properties

Complexity:
689  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
347.21g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
347.455g/mol
Monoisotopic Mass:
347.21g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Literature

Title Journal
Keto/enol epoxy steroids: a new structural class of HIV-1 Tat inhibitors. Journal of medicinal chemistry 19930903

Related Products

© 2019 Angene International Limited. All rights Reserved.