methyl 4-[(3aR,7aS)-2-(oxan-2-yloxy)-1-[(E)-3-oxidanylideneoct-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]butanoate

Systemtic Name: methyl 4-[(3aR,7aS)-2-(oxan-2-yloxy)-1-[(E)-3-oxidanylideneoct-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]butanoate Openeye Name: methyl 4-[(3aR,7aS)-1-[(E)-3-oxooct-1-enyl]-2-tetrahydropyran-2-yloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]butanoate CAS Name: 4-[(3aR,7aS)-2-(2-oxanyloxy)-1-[(E)-3-oxooct-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[(3aR,7aS)-2-(oxan-2-yloxy)-1-[(E)-3-oxooct-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]butanoate Traditional Name: 4-[(3aR,7aS)-1-[(E)-3-ketooct-1-enyl]-2-tetrahydropyran-2-yloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]butyric acid methyl ester Formula: C27H42O5 MolecularWeight: 446.61938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1C2CCC(=CC2CC1OC3CCCCO3)CCCC(=O)OC

Isomeric SMILES

CCCCCC(=O)/C=C/C1[C@H]2CCC(=C[C@@H]2CC1OC3CCCCO3)CCCC(=O)OC

InChI

InChI=1S/C27H42O5/c1-3-4-5-10-22(28)14-16-24-23-15-13-20(9-8-11-26(29)30-2)18-21(23)19-25(24)32-27-12-6-7-17-31-27/h14,16,18,21,23-25,27H,3-13,15,17,19H2,1-2H3/b16-14+/t21-,23+,24?,25?,27?/m1/s1