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

Systemtic Name: (1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-5,6-dimethoxy-2,14,18-trimethyl-15,16,17-tris(oxidanyl)-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one Openeye Name: (1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-15,16,17-trihydroxy-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one CAS Name: (1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-15,16,17-trihydroxy-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one IUPAC Name: (1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-15,16,17-trihydroxy-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one Traditional Name: (1S,2S,3E,5R,6S,11S,14S,15R,16S,17S,18S)-15,16,17-trihydroxy-5,6-dimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one Formula: C28H42O8 MolecularWeight: 506.62828

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H42O8/c1-17-15-16-23(34-5)22(33-4)14-10-9-13-21(20-11-7-6-8-12-20)35-27(31)19(3)28(32)26(30)24(29)18(2)25(17)36-28/h6-8,11-12,15-19,21-26,29-30,32H,9-10,13-14H2,1-5H3/b16-15+/t17-,18-,19+,21-,22-,23+,24-,25-,26-,28+/m0/s1