(3R,8S,10aS,11S,11aS)-8-[(4R,4aS,6S,8aR)-1,8a-dimethyl-4,6-bis(oxidanyl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl]-3,11-dimethyl-1,2,3,4,6a,7,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-6-one

Systemtic Name: (3R,8S,10aS,11S,11aS)-8-[(4R,4aS,6S,8aR)-1,8a-dimethyl-4,6-bis(oxidanyl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl]-3,11-dimethyl-1,2,3,4,6a,7,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-6-one Openeye Name: (3R,8S,10aS,11S,11aS)-8-[(4R,4aS,6S,8aR)-4,6-dihydroxy-1,8a-dimethyl-decalin-2-yl]-3,11-dimethyl-1,2,3,4,6a,7,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-6-one CAS Name: (3R,8S,10aS,11S,11aS)-8-[(4R,4aS,6S,8aR)-4,6-dihydroxy-1,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl]-3,11-dimethyl-1,2,3,4,6a,7,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-6-one IUPAC Name: (3R,8S,10aS,11S,11aS)-8-[(4R,4aS,6S,8aR)-4,6-dihydroxy-1,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl]-3,11-dimethyl-1,2,3,4,6a,7,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-6-one Traditional Name: (3R,8S,10aS,11S,11aS)-8-[(4R,4aS,6S,8aR)-4,6-dihydroxy-1,8a-dimethyl-decalin-2-yl]-3,11-dimethyl-1,2,3,4,6a,7,8,9,10,10a,11,11a-dodecahydrobenzo[b]quinolizin-6-one Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C3CCC(CC3C(=O)N2C1)C4CC(C5CC(CCC5(C4C)C)O)O)C

Isomeric SMILES

C[C@@H]1CC[C@H]2[C@H]([C@@H]3CC[C@@H](CC3C(=O)N2C1)C4C[C@H]([C@H]5C[C@H](CC[C@@]5(C4C)C)O)O)C

InChI

InChI=1S/C27H45NO3/c1-15-5-8-24-16(2)20-7-6-18(11-22(20)26(31)28(24)14-15)21-13-25(30)23-12-19(29)9-10-27(23,4)17(21)3/h15-25,29-30H,5-14H2,1-4H3/t15-,16+,17?,18+,19+,20+,21?,22?,23-,24+,25-,27-/m1/s1