(2R,3'S,4R,4'E,12'S)-12'-ethyl-3'-methyl-5'-methylsulfanyl-2-(2,4,6-trimethylphenyl)spiro[1,3-dioxolane-4,7'-11-oxabicyclo[11.3.1]heptadeca-1(17),4,13,15-tetraene]-8',10'-dione

Systemtic Name: (2R,3'S,4R,4'E,12'S)-12'-ethyl-3'-methyl-5'-methylsulfanyl-2-(2,4,6-trimethylphenyl)spiro[1,3-dioxolane-4,7'-11-oxabicyclo[11.3.1]heptadeca-1(17),4,13,15-tetraene]-8',10'-dione Openeye Name: (2R,3'S,4R,4'E,12'S)-12'-ethyl-3'-methyl-5'-methylsulfanyl-2-(2,4,6-trimethylphenyl)spiro[1,3-dioxolane-4,7'-11-oxabicyclo[11.3.1]heptadeca-1(17),4,13,15-tetraene]-8',10'-dione CAS Name: (2R,3'S,4R,4'E,12'S)-12'-ethyl-3'-methyl-5'-(methylthio)-2-(2,4,6-trimethylphenyl)spiro[1,3-dioxolane-4,7'-11-oxabicyclo[11.3.1]heptadeca-1(17),4,13,15-tetraene]-8',10'-dione IUPAC Name: (2R,3'S,4R,4'E,12'S)-12'-ethyl-3'-methyl-5'-methylsulfanyl-2-(2,4,6-trimethylphenyl)spiro[1,3-dioxolane-4,7'-11-oxabicyclo[11.3.1]heptadeca-1(17),4,13,15-tetraene]-8',10'-dione Traditional Name: (2R,3'S,4R,4'E,12'S)-12'-ethyl-2-mesityl-3'-methyl-5'-(methylthio)spiro[1,3-dioxolane-4,7'-11-oxabicyclo[11.3.1]heptadeca-1(17),4,13,15-tetraene]-8',10'-quinone Formula: C31H38O5S MolecularWeight: 522.69542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC(=C2)CC(C=C(CC3(COC(O3)C4=C(C=C(C=C4C)C)C)C(=O)CC(=O)O1)SC)C

Isomeric SMILES

CC[C@H]1C2=CC=CC(=C2)C[C@@H](/C=C(\C[C@@]3(CO[C@H](O3)C4=C(C=C(C=C4C)C)C)C(=O)CC(=O)O1)/SC)C

InChI

InChI=1S/C31H38O5S/c1-7-26-24-10-8-9-23(15-24)13-20(3)14-25(37-6)17-31(27(32)16-28(33)35-26)18-34-30(36-31)29-21(4)11-19(2)12-22(29)5/h8-12,14-15,20,26,30H,7,13,16-18H2,1-6H3/b25-14+/t20-,26-,30+,31+/m0/s1