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115404-57-4 | Lanost-7-en-3-one, 24,25-epoxy-23-hydroxy-, (13α,14β,17α,20S,23R,24S)-
CAS No: 115404-57-4 Catalog No: AG000FY8 MDL No:MFCD20260343
Product Description
Catalog Number:
AG000FY8
Chemical Name:
Lanost-7-en-3-one, 24,25-epoxy-23-hydroxy-, (13α,14β,17α,20S,23R,24S)-
CAS Number:
115404-57-4
MDL Number:
MFCD20260343
IUPAC Name:
(5R,9R,10R,13S,14S,17S)-17-[(2S,4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C30H48O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-23,25,31H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,25-,28+,29-,30+/m0/s1
InChI Key:
GKQMMZUXYRXFOH-QBLSGNHRSA-N
Properties
Complexity:
870
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
456.36g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
456.711g/mol
Monoisotopic Mass:
456.36g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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