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27953-46-4 | (14β,17α)-3β,19-Diacetoxy-5,14-dihydroxy-21-(iodoacetoxy)-5β-pregnan-20-one
CAS No: 27953-46-4 Catalog No: AG00BPB6 MDL No:
Product Description
Catalog Number:
AG00BPB6
Chemical Name:
(14β,17α)-3β,19-Diacetoxy-5,14-dihydroxy-21-(iodoacetoxy)-5β-pregnan-20-one
CAS Number:
27953-46-4
IUPAC Name:
[2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
InChI:
InChI=1S/C27H39IO9/c1-16(29)36-15-25-9-4-18(37-17(2)30)12-26(25,33)10-6-20-19(25)5-8-24(3)21(7-11-27(20,24)34)22(31)14-35-23(32)13-28/h18-21,33-34H,4-15H2,1-3H3/t18-,19-,20+,21-,24+,25-,26-,27-/m0/s1
InChI Key:
IIKJWHUZSBAFRB-YKJLZJSLSA-N
Properties
Complexity:
954
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
634.164g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
634.504g/mol
Monoisotopic Mass:
634.164g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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