2-[(3R,3aR,5aS,6S,7S,9bS)-3a,6-dimethyl-9b-oxidanyl-8-oxidanylidene-6-(2-oxidanylideneethyl)-3-[(4S,5S)-2,2,4-trimethyl-5-(3-methyl-3-oxidanyl-butyl)-1,3-dioxolan-4-yl]-2,3,4,5,5a,7-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanal

Systemtic Name: 2-[(3R,3aR,5aS,6S,7S,9bS)-3a,6-dimethyl-9b-oxidanyl-8-oxidanylidene-6-(2-oxidanylideneethyl)-3-[(4S,5S)-2,2,4-trimethyl-5-(3-methyl-3-oxidanyl-butyl)-1,3-dioxolan-4-yl]-2,3,4,5,5a,7-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanal Openeye Name: 2-[(3R,3aR,5aS,6S,7S,9bS)-9b-hydroxy-3-[(4S,5S)-5-(3-hydroxy-3-methyl-butyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-3a,6-dimethyl-8-oxo-6-(2-oxoethyl)-2,3,4,5,5a,7-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]acetaldehyde CAS Name: 2-[(3R,3aR,5aS,6S,7S,9bS)-9b-hydroxy-3-[(4S,5S)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-3a,6-dimethyl-8-oxo-6-(2-oxoethyl)-2,3,4,5,5a,7-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]acetaldehyde IUPAC Name: 2-[(3R,3aR,5aS,6S,7S,9bS)-9b-hydroxy-3-[(4S,5S)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-3a,6-dimethyl-8-oxo-6-(2-oxoethyl)-2,3,4,5,5a,7-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]acetaldehyde Traditional Name: 2-[(3R,3aR,5aS,6S,7S,9bS)-9b-hydroxy-3-[(4S,5S)-5-(3-hydroxy-3-methyl-butyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-8-keto-6-(2-ketoethyl)-3a,6-dimethyl-2,3,4,5,5a,7-hexahydro-1H-benz[e]inden-7-yl]acetaldehyde Formula: C30H46O7 MolecularWeight: 518.68204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)(C)C2CCC3(C2(CCC4C3=CC(=O)C(C4(C)CC=O)CC=O)C)O)CCC(C)(C)O)C

Isomeric SMILES

C[C@]12CC[C@@H]3C(=CC(=O)[C@H]([C@@]3(C)CC=O)CC=O)[C@@]1(CC[C@H]2[C@]4([C@@H](OC(O4)(C)C)CCC(C)(C)O)C)O

InChI

InChI=1S/C30H46O7/c1-25(2,34)12-10-24-29(7,37-26(3,4)36-24)23-9-14-30(35)21-18-22(33)20(11-16-31)27(5,15-17-32)19(21)8-13-28(23,30)6/h16-20,23-24,34-35H,8-15H2,1-7H3/t19-,20-,23-,24+,27+,28-,29+,30-/m1/s1