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7675-95-8 | [(3-acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene)amino] acetate
CAS No: 7675-95-8 Catalog No: AG005ICA MDL No:
Product Description
Catalog Number:
AG005ICA
Chemical Name:
[(3-acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene)amino] acetate
CAS Number:
7675-95-8
Molecular Formula:
C23H33NO4
Molecular Weight:
387.5124
IUPAC Name:
(17-acetyloxyimino-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
InChI:
InChI=1S/C23H33NO4/c1-14(25)27-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(24-28-15(2)26)23(19,4)12-10-20(18)22/h5,17-20H,6-13H2,1-4H3
InChI Key:
JZHUYBXYJAGJBU-UHFFFAOYSA-N
SMILES:
CC(=O)ON=C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.241g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.52g/mol
Monoisotopic Mass:
387.241g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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