(5R,10S,11S,14S)-4-ethyl-10,14-dihydroxy-5-[(1S)-1-hydroxyethyl]-11-methoxy-12-oxa-4-azatricyclo[9.2.1.0²,⁵]tetradec-1-en-3-one

AlkaPlorer ID: AK082164

Synonym: None

IUPAC Name: (1E,5R,10S,11S,14S)-4-ethyl-10,14-dihydroxy-5-[(1S)-1-hydroxyethyl]-11-methoxy-12-oxa-4-azatricyclo[9.2.1.02,5]tetradec-1-en-3-one

Structure

SMILES: CCN1C(=O)/C2=C3\CO[C@@](OC)([C@@H](O)CCCC[C@]21[C@H](C)O)[C@H]3O

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InChI: InChI=1S/C17H27NO6/c1-4-18-15(22)13-11-9-24-17(23-3,14(11)21)12(20)7-5-6-8-16(13,18)10(2)19/h10,12,14,19-21H,4-9H2,1-3H3/b13-11-/t10-,12-,14-,16-,17-/m0/s1

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InChIKey: HZAGKVVIDYIRRV-OKHKXKQTSA-N

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Properties Information

Molecule Weight: 341.404

TPSA: 99.46

MolLogP: -0.0666000000000012

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information