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982-06-9 | Pregna-5,16-dien-20-one, 3-(acetyloxy)-16-methyl-, (3b)-
CAS No: 982-06-9 Catalog No: AG01FOKU MDL No:
Product Description
Catalog Number:
AG01FOKU
Chemical Name:
Pregna-5,16-dien-20-one, 3-(acetyloxy)-16-methyl-, (3b)-
CAS Number:
982-06-9
IUPAC Name:
[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C24H34O3/c1-14-12-21-19-7-6-17-13-18(27-16(3)26)8-10-23(17,4)20(19)9-11-24(21,5)22(14)15(2)25/h6,18-21H,7-13H2,1-5H3/t18-,19+,20-,21-,23-,24-/m0/s1
InChI Key:
NELMHAIFXJZDST-HHNLCZHGSA-N
EC Number:
213-565-5
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
370.251g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.533g/mol
Monoisotopic Mass:
370.251g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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