O-[(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-5,6-dimethoxy-2,14,18-trimethyl-15,17-bis(oxidanyl)-13-oxidanylidene-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-16-yl] methylsulfanylmethanethioate

Systemtic Name: O-[(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-5,6-dimethoxy-2,14,18-trimethyl-15,17-bis(oxidanyl)-13-oxidanylidene-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-16-yl] methylsulfanylmethanethioate Openeye Name: O-[(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-15,17-dihydroxy-5,6-dimethoxy-2,14,18-trimethyl-13-oxo-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-16-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-15,17-dihydroxy-5,6-dimethoxy-2,14,18-trimethyl-13-oxo-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-16-yl] ester IUPAC Name: O-[(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-15,17-dihydroxy-5,6-dimethoxy-2,14,18-trimethyl-13-oxo-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-16-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-15,17-dihydroxy-13-keto-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-16-yl] ester Formula: C30H44O8S2 MolecularWeight: 596.79556

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(C(CCCCC(OC(=O)C(C2(C(C(C(C1O2)C)O)OC(=S)SC)O)C)C3=CC=CC=C3)OC)OC

Isomeric SMILES

C[C@H]1/C=C/[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@H]([C@H]([C@@H]([C@H]1O2)C)O)OC(=S)SC)O)C)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C30H44O8S2/c1-18-16-17-24(35-5)23(34-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(32)20(3)30(33)27(37-29(39)40-6)25(31)19(2)26(18)38-30/h7-9,12-13,16-20,22-27,31,33H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27-,30+/m0/s1