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Home > Aldehydes > 123376-04-5
123376-04-5 | 3,20-dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)
CAS No: 123376-04-5 Catalog No: AG00AGB5 MDL No:
Product Description
Catalog Number:
AG00AGB5
Chemical Name:
3,20-dioxopregn-4-ene-18'-carboxaldehyde cyclic 18'-(1,2-ethandiylmercaptal)
CAS Number:
123376-04-5
IUPAC Name:
(8S,9S,10R,13R,14S,17S)-17-acetyl-13-(1,3-dithiolan-2-ylmethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C24H34O2S2/c1-15(25)19-5-6-21-18-4-3-16-13-17(26)7-9-23(16,2)20(18)8-10-24(19,21)14-22-27-11-12-28-22/h13,18-22H,3-12,14H2,1-2H3/t18-,19-,20+,21+,23+,24+/m1/s1
InChI Key:
PFDJFFZMFSJHKT-XCUVIRGDSA-N
Properties
Complexity:
709
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
418.2g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.654g/mol
Monoisotopic Mass:
418.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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