(+)-3-O-(3-Hydroxybutyryl)tazettinol

AlkaPlorer ID: AK136344

Synonym: ''

IUPAC Name: [(1S,13S,16S,18S)-13-hydroxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-18-yl] (3S)-3-hydroxybutanoate

Structure

SMILES: C[C@H](O)CC(=O)O[C@@H]1C=C[C@@]23C4=CC5=C(C=C4CO[C@]2(O)CN(C)[C@H]3C1)OCO5

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InChI: InChI=1S/C21H25NO7/c1-12(23)5-19(24)29-14-3-4-20-15-8-17-16(26-11-27-17)6-13(15)9-28-21(20,25)10-22(2)18(20)7-14/h3-4,6,8,12,14,18,23,25H,5,7,9-11H2,1-2H3/t12-,14+,18-,20-,21+/m0/s1

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InChIKey: ULQYELXZHXEXJB-IVRWEXTASA-N

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Source

Properties Information

Molecule Weight: 403.4310000000002

TPSA: 97.69

MolLogP: 0.8285

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information