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19588-35-3 | 17-Acetyloxy-3-chloro-20-oxo-19-nor-1,3,5(10),6-pregnatetrene-2,4-dicarbaldehyde
CAS No: 19588-35-3 Catalog No: AG00ATT7 MDL No:
Product Description
Catalog Number:
AG00ATT7
Chemical Name:
17-Acetyloxy-3-chloro-20-oxo-19-nor-1,3,5(10),6-pregnatetrene-2,4-dicarbaldehyde
CAS Number:
19588-35-3
IUPAC Name:
[(8R,9S,13S,14S,17R)-17-acetyl-3-chloro-2,4-diformyl-13-methyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] acetate
InChI:
InChI=1S/C24H25ClO5/c1-13(28)24(30-14(2)29)9-7-21-18-5-4-16-19(17(18)6-8-23(21,24)3)10-15(11-26)22(25)20(16)12-27/h4-5,10-12,17-18,21H,6-9H2,1-3H3/t17-,18+,21-,23-,24-/m0/s1
InChI Key:
NOYOFJGOIDZWDP-YDNKQOOJSA-N
Properties
Complexity:
793
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
428.139g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.909g/mol
Monoisotopic Mass:
428.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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