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124824-12-0 | N-(4-iodophenyl)pregnenolone 3-carbamate
CAS No: 124824-12-0 Catalog No: AG00A6M9 MDL No:
Product Description
Catalog Number:
AG00A6M9
Chemical Name:
N-(4-iodophenyl)pregnenolone 3-carbamate
CAS Number:
124824-12-0
IUPAC Name:
[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-(4-iodophenyl)carbamate
InChI:
InChI=1S/C28H36INO3/c1-17(31)23-10-11-24-22-9-4-18-16-21(33-26(32)30-20-7-5-19(29)6-8-20)12-14-27(18,2)25(22)13-15-28(23,24)3/h4-8,21-25H,9-16H2,1-3H3,(H,30,32)/t21-,22-,23+,24-,25-,27-,28+/m0/s1
InChI Key:
NVKBMJWRJHYUAC-PUWKGJKWSA-N
Properties
Complexity:
818
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
561.174g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
561.504g/mol
Monoisotopic Mass:
561.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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