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75190-78-2 | 20-oxopregn-5-ene-3,16-diyl diacetate
CAS No: 75190-78-2 Catalog No: AG00563G MDL No:
Product Description
Catalog Number:
AG00563G
Chemical Name:
20-oxopregn-5-ene-3,16-diyl diacetate
CAS Number:
75190-78-2
Molecular Formula:
C25H36O5
Molecular Weight:
416.5503
IUPAC Name:
(17-acetyl-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
InChI:
InChI=1S/C25H36O5/c1-14(26)23-22(30-16(3)28)13-21-19-7-6-17-12-18(29-15(2)27)8-10-24(17,4)20(19)9-11-25(21,23)5/h6,18-23H,7-13H2,1-5H3
InChI Key:
SMCQXKQWSCYFRG-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC([C@@H]2C(=O)C)OC(=O)C)C)C1)C
NSC Number:
118775
Properties
Complexity:
784
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.256g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.558g/mol
Monoisotopic Mass:
416.256g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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