[(1S,3S,4aR,7S,8S,8aS)-7-methyl-8-[3-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]propyl]-3-[(Z)-prop-1-enyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate

Systemtic Name: [(1S,3S,4aR,7S,8S,8aS)-7-methyl-8-[3-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]propyl]-3-[(Z)-prop-1-enyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate Openeye Name: [(1S,3S,4aR,7S,8S,8aS)-8-[3-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]propyl]-7-methyl-3-[(Z)-prop-1-enyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate CAS Name: (2S)-2-methylbutanoic acid [(1S,3S,4aR,7S,8S,8aS)-8-[3-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]propyl]-7-methyl-3-[(Z)-prop-1-enyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] ester IUPAC Name: [(1S,3S,4aR,7S,8S,8aS)-8-[3-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]propyl]-7-methyl-3-[(Z)-prop-1-enyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate Traditional Name: (2S)-2-methylbutyric acid [(1S,3S,4aR,7S,8S,8aS)-8-[3-[(2R,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]propyl]-7-methyl-3-[(Z)-prop-1-enyl]-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] ester Formula: C27H42O5 MolecularWeight: 446.61938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC(CC2C1C(C(C=C2)C)CCCC3CC(CC(=O)O3)O)C=CC

Isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@H]2[C@H]1[C@H]([C@H](C=C2)C)CCC[C@@H]3C[C@H](CC(=O)O3)O)/C=C\C

InChI

InChI=1S/C27H42O5/c1-5-8-19-13-20-12-11-18(4)23(10-7-9-22-15-21(28)16-25(29)31-22)26(20)24(14-19)32-27(30)17(3)6-2/h5,8,11-12,17-24,26,28H,6-7,9-10,13-16H2,1-4H3/b8-5-/t17-,18-,19-,20-,21+,22+,23-,24-,26-/m0/s1