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56897-09-7 | (3S,6R,8S,9S,13R,14S,17R)-6-(iodomethyl)-13-methyl-17-[(2R)-6-methylhe ptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[ a]phenanthren-3-ol
CAS No: 56897-09-7 Catalog No: AG00F0MH MDL No:
Product Description
Catalog Number:
AG00F0MH
Chemical Name:
(3S,6R,8S,9S,13R,14S,17R)-6-(iodomethyl)-13-methyl-17-[(2R)-6-methylhe ptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[ a]phenanthren-3-ol
CAS Number:
56897-09-7
IUPAC Name:
(3S,6R,8S,9S,13R,14S,17R)-6-((131I)iodanylmethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C27H45IO/c1-17(2)6-5-7-18(3)25-10-11-26-24-14-19(16-28)23-15-20(29)8-9-21(23)22(24)12-13-27(25,26)4/h17-20,22,24-26,29H,5-16H2,1-4H3/t18-,19+,20+,22-,24-,25-,26+,27-/m1/s1/i28+4
InChI Key:
QJHZPCLORSPENH-DRTKWHMQSA-N
UNII:
HFE9M7UF0L
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
516.253g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
1
Molecular Weight:
516.562g/mol
Monoisotopic Mass:
516.253g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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