(3S,3aR,4S,6aR,9S,9aR,9bR)-9-methyl-6-methylidene-3-[(3-methylphenyl)sulfanylmethyl]-4-oxidanyl-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione

Systemtic Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-9-methyl-6-methylidene-3-[(3-methylphenyl)sulfanylmethyl]-4-oxidanyl-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione Openeye Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-6-methylene-3-(m-tolylsulfanylmethyl)-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione CAS Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-6-methylene-3-[[(3-methylphenyl)thio]methyl]-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione IUPAC Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-6-methylidene-3-[(3-methylphenyl)sulfanylmethyl]-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione Traditional Name: (3S,3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-6-methylene-3-[(m-tolylthio)methyl]-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-quinone Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3CSC4=CC=CC(=C4)C)O

Isomeric SMILES

C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)[C@H]3CSC4=CC=CC(=C4)C)O

InChI

InChI=1S/C22H26O4S/c1-11-5-4-6-14(7-11)27-10-16-20-18(24)8-12(2)15-9-17(23)13(3)19(15)21(20)26-22(16)25/h4-7,13,15-16,18-21,24H,2,8-10H2,1,3H3/t13-,15+,16+,18+,19+,20-,21-/m1/s1