(3aS,4S,5R,7aR)-6-[(E)-hept-1-enyl]-7-(hydroxymethyl)-4,5-bis(oxidanyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one

Systemtic Name: (3aS,4S,5R,7aR)-6-[(E)-hept-1-enyl]-7-(hydroxymethyl)-4,5-bis(oxidanyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one Openeye Name: (3aS,4S,5R,7aR)-6-[(E)-hept-1-enyl]-4,5-dihydroxy-7-(hydroxymethyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one CAS Name: (3aS,4S,5R,7aR)-6-[(E)-hept-1-enyl]-4,5-dihydroxy-7-(hydroxymethyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one IUPAC Name: (3aS,4S,5R,7aR)-6-[(E)-hept-1-enyl]-4,5-dihydroxy-7-(hydroxymethyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one Traditional Name: (3aS,4S,5R,7aR)-6-[(E)-hept-1-enyl]-4,5-dihydroxy-7-methylol-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one Formula: C15H22O6 MolecularWeight: 298.33158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC1=C(C2C(C(C1O)O)OC(=O)O2)CO

Isomeric SMILES

CCCCC/C=C/C1=C([C@@H]2[C@H]([C@H]([C@@H]1O)O)OC(=O)O2)CO

InChI

InChI=1S/C15H22O6/c1-2-3-4-5-6-7-9-10(8-16)13-14(12(18)11(9)17)21-15(19)20-13/h6-7,11-14,16-18H,2-5,8H2,1H3/b7-6+/t11-,12+,13-,14+/m1/s1