methanal; 6-[(7R,13S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl cyclopenta-1,3-diene-1-carboxylate; rhenium

Systemtic Name: methanal; 6-[(7R,13S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl cyclopenta-1,3-diene-1-carboxylate; rhenium Openeye Name: 6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl cyclopenta-1,3-diene-1-carboxylate; formaldehyde; rhenium CAS Name: 1-cyclopenta-1,3-dienecarboxylic acid 6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl ester; formaldehyde; rhenium IUPAC Name: 6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl cyclopenta-1,3-diene-1-carboxylate; formaldehyde; rhenium Traditional Name: cyclopenta-1,3-diene-1-carboxylic acid 6-[(7R,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]hexyl ester; formaldehyde; rhenium Formula: C33H46O7Re MolecularWeight: 740.92114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCOC(=O)C5=CC=CC5.C=O.C=O.C=O.[Re]

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCOC(=O)C5=CC=CC5.C=O.C=O.C=O.[Re]

InChI

InChI=1S/C30H40O4.3CH2O.Re/c1-30-16-15-25-24-12-11-23(31)19-22(24)18-21(28(25)26(30)13-14-27(30)32)10-4-2-3-7-17-34-29(33)20-8-5-6-9-20;3*1-2;/h5-6,8,11-12,19,21,25-28,31-32H,2-4,7,9-10,13-18H2,1H3;3*1H2;/t21-,25?,26?,27+,28?,30+;;;;/m1..../s1