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Home > Other Heterocycles > 132458-33-4
132458-33-4 | 20,21-Dehydro Spironolactone
CAS No: 132458-33-4 Catalog No: AG01CBCX MDL No:
Product Description
Catalog Number:
AG01CBCX
Chemical Name:
20,21-Dehydro Spironolactone
CAS Number:
132458-33-4
IUPAC Name:
S-[(7R,10R,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-furan]-7-yl] ethanethioate
InChI:
InChI=1S/C24H30O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h7,11-12,17-19,21H,4-6,8-10,13H2,1-3H3/t17?,18?,19-,21?,22+,23+,24-/m1/s1
InChI Key:
KCWOLKZQDUPWRC-LJODGORCSA-N
Properties
Complexity:
859
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
414.186g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.56g/mol
Monoisotopic Mass:
414.186g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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