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1020074-97-8

1020074-97-8 | 26,27-Dinordammaran-3-one, 20,25-epoxy-25-methoxy-24,24-dimethyl-, (25S)-

CAS No: 1020074-97-8 Catalog No: AG0006B2 MDL No:MFCD20274863

Product Description

Catalog Number:
AG0006B2
Chemical Name:
26,27-Dinordammaran-3-one, 20,25-epoxy-25-methoxy-24,24-dimethyl-, (25S)-
CAS Number:
1020074-97-8
MDL Number:
MFCD20274863
IUPAC Name:
(8R,9R,10R,14S,17S)-17-[(2S)-6-methoxy-2,5,5-trimethyloxan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20?,21-,22?,23+,25?,28-,29-,30+,31-/m0/s1
InChI Key:
AVUFEQKMVHVFSN-LVYNKDFCSA-N

Properties

Complexity:
846  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
472.392g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.754g/mol
Monoisotopic Mass:
472.392g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1  

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