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147900-22-9 | Estr-4-ene-3,6,17-trione, 10-[1-(acetyloxy)-2-propynyl]-, [10(S)]- (9CI)
CAS No: 147900-22-9 Catalog No: AG001FA2 MDL No:
Product Description
Catalog Number:
AG001FA2
Chemical Name:
Estr-4-ene-3,6,17-trione, 10-[1-(acetyloxy)-2-propynyl]-, [10(S)]- (9CI)
CAS Number:
147900-22-9
IUPAC Name:
1-[(8R,9S,10S,13S,14S)-13-methyl-3,6,17-trioxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-10-yl]prop-2-ynyl acetate
InChI:
InChI=1S/C23H26O5/c1-4-21(28-13(2)24)23-10-7-14(25)11-18(23)19(26)12-15-16-5-6-20(27)22(16,3)9-8-17(15)23/h1,11,15-17,21H,5-10,12H2,2-3H3/t15-,16-,17-,21?,22-,23-/m0/s1
InChI Key:
OTBPDDRBTVTJBK-LGOFAFLGSA-N
Properties
Complexity:
858
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
382.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.456g/mol
Monoisotopic Mass:
382.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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