17-Oxolupanine; 13-Benzoyloxy

AlkaPlorer ID: AK308971

Synonym: 13-Benzoyloxy-17-oxolupanine

IUPAC Name: None

Structure

SMILES: O=C(OC1CCN2C(=O)C3CC(CN4C(=O)CCCC34)C2C1)C1=CC=CC=C1

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InChI: InChI=1S/C22H26N2O4/c25-20-8-4-7-18-17-11-15(13-24(18)20)19-12-16(9-10-23(19)21(17)26)28-22(27)14-5-2-1-3-6-14/h1-3,5-6,15-19H,4,7-13H2

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InChIKey: GGRGYUVPQMEXGS-UHFFFAOYSA-N

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Reference

CAS: 152406-66-1

Properties Information

Molecule Weight: 382.4600000000001

TPSA: 66.92

MolLogP: 2.2338

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information