[2-[[(1S,2S,4aR,8aR)-4a-[2-[(1R,2S,4aS)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-4-sulfooxy-phenyl] hydrogen sulfate

Systemtic Name: [2-[[(1S,2S,4aR,8aR)-4a-[2-[(1R,2S,4aS)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-4-sulfooxy-phenyl] hydrogen sulfate Openeye Name: [2-[[(1S,2S,4aR,8aR)-4a-[2-[(1R,2S,4aS)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2-dimethyl-5-methylene-decalin-1-yl]methyl]-4-sulfooxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-[[(1S,2S,4aR,8aR)-4a-[2-[(1R,2S,4aS)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2-dimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-4-sulfooxyphenyl] ester IUPAC Name: [2-[[(1S,2S,4aR,8aR)-4a-[2-[(1R,2S,4aS)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2-dimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-4-sulfooxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-[[(1S,2S,4aR,8aR)-4a-[2-[(1R,2S,4aS)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-1,2-dimethyl-5-methylene-decalin-1-yl]methyl]-4-sulfoxy-phenyl] ester Formula: C36H54O8S2 MolecularWeight: 678.93916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(=CCCC2(C)C)C1(C)CCC34CCC(C(C3CCCC4=C)(C)CC5=C(C=CC(=C5)OS(=O)(=O)O)OS(=O)(=O)O)C

Isomeric SMILES

C[C@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@]34CC[C@@H]([C@]([C@H]3CCCC4=C)(C)CC5=C(C=CC(=C5)OS(=O)(=O)O)OS(=O)(=O)O)C

InChI

InChI=1S/C36H54O8S2/c1-24-13-15-29-30(11-9-18-33(29,4)5)34(24,6)20-21-36-19-17-25(2)35(7,32(36)12-8-10-26(36)3)23-27-22-28(43-45(37,38)39)14-16-31(27)44-46(40,41)42/h11,14,16,22,24-25,29,32H,3,8-10,12-13,15,17-21,23H2,1-2,4-7H3,(H,37,38,39)(H,40,41,42)/t24-,25-,29+,32+,34+,35-,36-/m0/s1