2-[2-[(3aS,5R,6R,6aS)-6-[(E,3R)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]prop-2-enoxy]ethanoic acid

Systemtic Name: 2-[2-[(3aS,5R,6R,6aS)-6-[(E,3R)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanyl-1,3a,4,5,6,6a-hexahydropentalen-2-yl]prop-2-enoxy]ethanoic acid Openeye Name: 2-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]allyloxy]acetic acid CAS Name: 2-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]prop-2-enoxy]acetic acid IUPAC Name: 2-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]prop-2-enoxy]acetic acid Traditional Name: 2-[2-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3R)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]allyloxy]acetic acid Formula: C23H36O5 MolecularWeight: 392.52894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1C(CC2C1CC(=C2)C(=C)COCC(=O)O)O)O

Isomeric SMILES

CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=C2)C(=C)COCC(=O)O)O)O

InChI

InChI=1S/C23H36O5/c1-5-6-9-23(3,4)21(25)8-7-18-19-11-16(10-17(19)12-20(18)24)15(2)13-28-14-22(26)27/h7-8,10,17-21,24-25H,2,5-6,9,11-14H2,1,3-4H3,(H,26,27)/b8-7+/t17-,18+,19-,20+,21+/m0/s1