15-[(3-hydroxybutanoyl)oxy]-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹?.0?,?]nonadeca-2,4(8),9,16-tetraen-18-yl (2E)-but-2-enoate

AlkaPlorer ID: AK253805

Synonym: None

IUPAC Name: [(1S,13S,15R,18R)-18-but-2-enoyloxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-yl] (3S)-3-hydroxybutanoate

Structure

SMILES: CC=CC(=O)O[C@H]1CN2CC3=CC4=C(C=C3[C@]13C=C[C@H](OC(=O)C[C@H](C)O)C[C@H]23)OCO4

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InChI: InChI=1S/C24H27NO7/c1-3-4-22(27)32-21-12-25-11-15-8-18-19(30-13-29-18)10-17(15)24(21)6-5-16(9-20(24)25)31-23(28)7-14(2)26/h3-6,8,10,14,16,20-21,26H,7,9,11-13H2,1-2H3/t14-,16-,20-,21-,24-/m0/s1

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InChIKey: JBUJLIZQYREJLN-FYFKHAHJSA-N

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Source

Properties Information

Molecule Weight: 441.48000000000025

TPSA: 94.53

MolLogP: 1.9814

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information