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14105-35-2 | Pregn-5-en-20-one, 3-(acetyloxy)-16,17-epoxy-16-methyl-, (3β,16α)-
CAS No: 14105-35-2 Catalog No: AG001FTH MDL No:
Product Description
Catalog Number:
AG001FTH
Chemical Name:
Pregn-5-en-20-one, 3-(acetyloxy)-16,17-epoxy-16-methyl-, (3β,16α)-
CAS Number:
14105-35-2
IUPAC Name:
[(1R,2S,6S,7S,10S,11R)-6-acetyl-4,7,11-trimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
InChI:
InChI=1S/C24H34O4/c1-14(25)24-22(4)11-9-19-18(20(22)13-23(24,5)28-24)7-6-16-12-17(27-15(2)26)8-10-21(16,19)3/h6,17-20H,7-13H2,1-5H3/t17?,18-,19+,20+,21+,22+,23?,24+/m1/s1
InChI Key:
JFNWTOWVZYOKIK-XJWMTWDBSA-N
Properties
Complexity:
786
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
386.246g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.532g/mol
Monoisotopic Mass:
386.246g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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