2-[(E,2R,3R,4R,5R,8S)-4,6-dimethyl-8-[5-methyl-4-oxidanylidene-6-[(2S)-3-oxidanylpentan-2-yl]pyran-2-yl]-3,5-bis(oxidanyl)non-6-en-2-yl]-6-ethyl-3,5-dimethyl-pyran-4-one

Systemtic Name: 2-[(E,2R,3R,4R,5R,8S)-4,6-dimethyl-8-[5-methyl-4-oxidanylidene-6-[(2S)-3-oxidanylpentan-2-yl]pyran-2-yl]-3,5-bis(oxidanyl)non-6-en-2-yl]-6-ethyl-3,5-dimethyl-pyran-4-one Openeye Name: 2-[(E,1R,2R,3R,4R,7S)-2,4-dihydroxy-7-[6-[(1S)-2-hydroxy-1-methyl-butyl]-5-methyl-4-oxo-pyran-2-yl]-1,3,5-trimethyl-oct-5-enyl]-6-ethyl-3,5-dimethyl-pyran-4-one CAS Name: 2-[(E,2R,3R,4R,5R,8S)-3,5-dihydroxy-8-[6-[(2S)-3-hydroxypentan-2-yl]-5-methyl-4-oxo-2-pyranyl]-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethyl-4-pyranone IUPAC Name: 2-[(E,2R,3R,4R,5R,8S)-3,5-dihydroxy-8-[6-[(2S)-3-hydroxypentan-2-yl]-5-methyl-4-oxopyran-2-yl]-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one Traditional Name: 2-[(E,1R,2R,3R,4R,7S)-2,4-dihydroxy-7-[6-[(1S)-2-hydroxy-1-methyl-butyl]-4-keto-5-methyl-pyran-2-yl]-1,3,5-trimethyl-oct-5-enyl]-6-ethyl-3,5-dimethyl-pyran-4-one Formula: C31H46O7 MolecularWeight: 530.69274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C(=C(O1)C(C)C(C(C)C(C(=CC(C)C2=CC(=O)C(=C(O2)C(C)C(CC)O)C)C)O)O)C)C

Isomeric SMILES

CCC1=C(C(=O)C(=C(O1)[C@H](C)[C@@H]([C@@H](C)[C@H](/C(=C/[C@H](C)C2=CC(=O)C(=C(O2)[C@@H](C)C(CC)O)C)/C)O)O)C)C

InChI

InChI=1S/C31H46O7/c1-11-23(32)17(5)30-18(6)24(33)14-26(38-30)15(3)13-16(4)27(34)20(8)29(36)22(10)31-21(9)28(35)19(7)25(12-2)37-31/h13-15,17,20,22-23,27,29,32,34,36H,11-12H2,1-10H3/b16-13+/t15-,17-,20-,22+,23?,27-,29+/m0/s1