(3aS,6R,6aR)-3a-(hydroxymethyl)-6-[(E,1S)-1-oxidanyl-10-oxidanylidene-hexadec-2-enyl]-6,6a-dihydro-3H-furo[3,4-d][1,3]oxazole-2,4-dione

Systemtic Name: (3aS,6R,6aR)-3a-(hydroxymethyl)-6-[(E,1S)-1-oxidanyl-10-oxidanylidene-hexadec-2-enyl]-6,6a-dihydro-3H-furo[3,4-d][1,3]oxazole-2,4-dione Openeye Name: (3aS,6R,6aR)-3a-(hydroxymethyl)-6-[(E,1S)-1-hydroxy-10-oxo-hexadec-2-enyl]-6,6a-dihydro-3H-furo[3,4-d]oxazole-2,4-dione CAS Name: (3aS,6R,6aR)-3a-(hydroxymethyl)-6-[(E,1S)-1-hydroxy-10-oxohexadec-2-enyl]-6,6a-dihydro-3H-furo[3,4-d]oxazole-2,4-dione IUPAC Name: (3aS,6R,6aR)-3a-(hydroxymethyl)-6-[(E,1S)-1-hydroxy-10-oxohexadec-2-enyl]-6,6a-dihydro-3H-furo[3,4-d][1,3]oxazole-2,4-dione Traditional Name: (3aS,6R,6aR)-6-[(E,1S)-1-hydroxy-10-keto-hexadec-2-enyl]-3a-methylol-6,6a-dihydro-3H-furo[3,4-d]oxazole-2,4-quinone Formula: C22H35NO7 MolecularWeight: 425.5158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCC=CC(C1C2C(C(=O)O1)(NC(=O)O2)CO)O

Isomeric SMILES

CCCCCCC(=O)CCCCCC/C=C/[C@@H]([C@@H]1[C@H]2[C@@](C(=O)O1)(NC(=O)O2)CO)O

InChI

InChI=1S/C22H35NO7/c1-2-3-4-9-12-16(25)13-10-7-5-6-8-11-14-17(26)18-19-22(15-24,20(27)29-18)23-21(28)30-19/h11,14,17-19,24,26H,2-10,12-13,15H2,1H3,(H,23,28)/b14-11+/t17-,18+,19-,22-/m0/s1