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114752-28-2 | 26-iodoponasterone A
CAS No: 114752-28-2 Catalog No: AG009QL2 MDL No:
Product Description
Catalog Number:
AG009QL2
Chemical Name:
26-iodoponasterone A
CAS Number:
114752-28-2
IUPAC Name:
(2S,3R,5R,9R,10R,13R,17S)-17-[(2R)-2,3-dihydroxy-7-iodo-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
InChI:
InChI=1S/C27H43IO6/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,30-34H,5-10,12-14H2,1-4H3/t15?,16-,18-,20+,21-,22-,23?,24+,25+,26+,27?/m0/s1
InChI Key:
OFAWDAXRJPJULO-GRIYGNIGSA-N
Properties
Complexity:
847
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
590.21g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
590.539g/mol
Monoisotopic Mass:
590.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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