TAN 1030A; 7ξ-Hydroxy

AlkaPlorer ID: AK314919

Synonym: None

IUPAC Name: (4Z)-18-hydroxy-4-hydroxyimino-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

Structure

SMILES: COC1/C(=N/O)CC2OC1(C)N1C3=CC=CC=C3C3=C4C(=C5C6=CC=CC=C6N2C5=C31)C(=O)NC4O

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InChI: InChI=1S/C27H22N4O5/c1-27-24(35-2)14(29-34)11-17(36-27)30-15-9-5-3-7-12(15)18-20-21(26(33)28-25(20)32)19-13-8-4-6-10-16(13)31(27)23(19)22(18)30/h3-10,17,24,26,33-34H,11H2,1-2H3,(H,28,32)/b29-14+

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InChIKey: UTWLLRLVEDHSHB-IPPBACCNSA-N

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Reference

CAS: 178276-00-1

Properties Information

Molecule Weight: 482.49600000000027

TPSA: 110.24

MolLogP: 4.087100000000003

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information