3-azanyl-3-(hydroxymethyl)-4,5-bis(oxidanyl)-6-[(E)-9-oxidanylidenepentadec-1-enyl]oxan-2-one

Systemtic Name: 3-azanyl-3-(hydroxymethyl)-4,5-bis(oxidanyl)-6-[(E)-9-oxidanylidenepentadec-1-enyl]oxan-2-one Openeye Name: 3-amino-4,5-dihydroxy-3-(hydroxymethyl)-6-[(E)-9-oxopentadec-1-enyl]tetrahydropyran-2-one CAS Name: 3-amino-4,5-dihydroxy-3-(hydroxymethyl)-6-[(E)-9-oxopentadec-1-enyl]-2-oxanone IUPAC Name: 3-amino-4,5-dihydroxy-3-(hydroxymethyl)-6-[(E)-9-oxopentadec-1-enyl]oxan-2-one Traditional Name: 3-amino-4,5-dihydroxy-6-[(E)-9-ketopentadec-1-enyl]-3-methylol-tetrahydropyran-2-one Formula: C21H37NO6 MolecularWeight: 399.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCC=CC1C(C(C(C(=O)O1)(CO)N)O)O

Isomeric SMILES

CCCCCCC(=O)CCCCCC/C=C/C1C(C(C(C(=O)O1)(CO)N)O)O

InChI

InChI=1S/C21H37NO6/c1-2-3-4-9-12-16(24)13-10-7-5-6-8-11-14-17-18(25)19(26)21(22,15-23)20(27)28-17/h11,14,17-19,23,25-26H,2-10,12-13,15,22H2,1H3/b14-11+