13-Hydroxylupanine; Ac

AlkaPlorer ID: AK301333

Synonym: 13-Acetoxylupanine

IUPAC Name: (14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) acetate

Structure

SMILES: CC(=O)OC1CCN2CC3CC(CN4C(=O)CCCC34)C2C1

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InChI: InChI=1S/C17H26N2O3/c1-11(20)22-14-5-6-18-9-12-7-13(16(18)8-14)10-19-15(12)3-2-4-17(19)21/h12-16H,2-10H2,1H3

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InChIKey: ZFTSMQKTSQDNDJ-UHFFFAOYSA-N

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Reference

PubChem CID: 91738293

CAS: 72822-06-1

COCONUT: CNP0426794.1

Properties Information

Molecule Weight: 306.40600000000006

TPSA: 49.85

MolLogP: 1.4132999999999996

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information