methyl 5-[(3aS,5R,6R,6aS)-6-[(E,3R)-4-(3-methylphenyl)-3-oxidanyl-but-1-enyl]-5-oxidanyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate

Systemtic Name: methyl 5-[(3aS,5R,6R,6aS)-6-[(E,3R)-4-(3-methylphenyl)-3-oxidanyl-but-1-enyl]-5-oxidanyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate Openeye Name: methyl 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4-(m-tolyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate CAS Name: 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate Traditional Name: 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4-(m-tolyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]valeric acid methyl ester Formula: C25H34O4 MolecularWeight: 398.53506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C=CC2C(CC3C2CC(=C3)CCCCC(=O)OC)O)O

Isomeric SMILES

CC1=CC(=CC=C1)C[C@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=C3)CCCCC(=O)OC)O)O

InChI

InChI=1S/C25H34O4/c1-17-6-5-8-18(12-17)14-21(26)10-11-22-23-15-19(13-20(23)16-24(22)27)7-3-4-9-25(28)29-2/h5-6,8,10-13,20-24,26-27H,3-4,7,9,14-16H2,1-2H3/b11-10+/t20-,21-,22+,23-,24+/m0/s1