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72099-45-7 | (6,11,16)-Trihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione
CAS No: 72099-45-7 Catalog No: AG00FDFH MDL No:
Product Description
Catalog Number:
AG00FDFH
Chemical Name:
(6,11,16)-Trihydroxy-2'-methyl-5'H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione
CAS Number:
72099-45-7
IUPAC Name:
11,19-dihydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one
InChI:
InChI=1S/C23H29NO6/c1-11-24-23(18(29)10-25)19(30-11)8-14-13-7-16(27)15-6-12(26)4-5-21(15,2)20(13)17(28)9-22(14,23)3/h4-6,13-14,16-17,19-20,25,27-28H,7-10H2,1-3H3
InChI Key:
GUUSJROCWMOQNZ-UHFFFAOYSA-N
Properties
Complexity:
923
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.199g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
415.486g/mol
Monoisotopic Mass:
415.199g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
9
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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