6-[(2R,3S,4E,7E,10E,12E,15S,16S,17R,18E)-4,8,10,12,16,18-hexamethyl-3,15,17-tris(oxidanyl)icosa-4,7,10,12,18-pentaen-2-yl]-3-propyl-pyran-2-one

Systemtic Name: 6-[(2R,3S,4E,7E,10E,12E,15S,16S,17R,18E)-4,8,10,12,16,18-hexamethyl-3,15,17-tris(oxidanyl)icosa-4,7,10,12,18-pentaen-2-yl]-3-propyl-pyran-2-one Openeye Name: 3-propyl-6-[(1R,2S,3E,6E,9E,11E,14S,15S,16R,17E)-2,14,16-trihydroxy-1,3,7,9,11,15,17-heptamethyl-nonadeca-3,6,9,11,17-pentaenyl]pyran-2-one CAS Name: 3-propyl-6-[(2R,3S,4E,7E,10E,12E,15S,16S,17R,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethyleicosa-4,7,10,12,18-pentaen-2-yl]-2-pyranone IUPAC Name: 3-propyl-6-[(2R,3S,4E,7E,10E,12E,15S,16S,17R,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one Traditional Name: 3-propyl-6-[(1R,2S,3E,6E,9E,11E,14S,15S,16R,17E)-2,14,16-trihydroxy-1,3,7,9,11,15,17-heptamethyl-nonadeca-3,6,9,11,17-pentaenyl]pyran-2-one Formula: C34H52O5 MolecularWeight: 540.77368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(OC1=O)C(C)C(C(=CCC=C(C)CC(=CC(=CCC(C(C)C(C(=CC)C)O)O)C)C)C)O

Isomeric SMILES

CCCC1=CC=C(OC1=O)[C@H](C)[C@@H](/C(=C/C/C=C(\C)/C/C(=C/C(=C/C[C@@H]([C@H](C)[C@H](/C(=C/C)/C)O)O)/C)/C)/C)O

InChI

InChI=1S/C34H52O5/c1-10-13-29-17-19-31(39-34(29)38)28(9)33(37)26(7)15-12-14-22(3)20-24(5)21-23(4)16-18-30(35)27(8)32(36)25(6)11-2/h11,14-17,19,21,27-28,30,32-33,35-37H,10,12-13,18,20H2,1-9H3/b22-14+,23-16+,24-21+,25-11+,26-15+/t27-,28-,30-,32-,33+/m0/s1