User 677b9c22ff
17-10-2007 04:46:11
Hi,
I have the following molecule from PubChem (see picture):
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O
CID: 5870
IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclo
penta[a]phenanthren-17-one
Now all the sources including PubChem, Beilstein CAS number this
a 3-hydroxy , 17-one compound. There is this nice Steroid Nomenclature is this according to the nomenclature or according
to a bug? I am not referring to the atom numbering which is just
shown for illustration, but the different naming convention.
Marvin 4.11
Preferred IUPAC Name = (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one
Traditional Name = (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one
Autonom
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one,
CAS: (8R,9S,13S,14S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one
Thank you
Tobias
I have the following molecule from PubChem (see picture):
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O
CID: 5870
IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclo
penta[a]phenanthren-17-one
Now all the sources including PubChem, Beilstein CAS number this
a 3-hydroxy , 17-one compound. There is this nice Steroid Nomenclature is this according to the nomenclature or according
to a bug? I am not referring to the atom numbering which is just
shown for illustration, but the different naming convention.
Marvin 4.11
Preferred IUPAC Name = (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one
Traditional Name = (1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one
Autonom
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one,
CAS: (8R,9S,13S,14S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one
Thank you
Tobias