dihydrovittatine Trifluoroacetic acid

AlkaPlorer ID: AK051768

Synonym: None

IUPAC Name: (1R,13R,15S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-trien-15-ol

Structure

SMILES: O[C@H]1CC[C@@]23CCN(CC4=CC5=C(C=C42)OCO5)[C@@H]3C1

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InChI: InChI=1S/C16H19NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h5,7,11,15,18H,1-4,6,8-9H2/t11-,15+,16+/m0/s1

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InChIKey: KYIVQNAGCWUJJV-IUIKQTSFSA-N

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Properties Information

Molecule Weight: 273.332

TPSA: 41.93000000000001

MolLogP: 1.7858

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information