Pahutoxin; (ξ)-form, O-De-Ac, O-pentanoyl 

AlkaPlorer ID: AK309185

Synonym: None

IUPAC Name: None

Structure

SMILES: CCCCCCCCCCCCCC(CC(=O)OCC[N+](C)(C)C)OC(=O)CCCC

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InChI: InChI=1S/C26H52NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-24(31-25(28)20-9-7-2)23-26(29)30-22-21-27(3,4)5/h24H,6-23H2,1-5H3/q+1

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InChIKey: LIMAIPGJEVEMSZ-UHFFFAOYSA-N

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Reference

CAS: 116613-94-6

Source

Properties Information

Molecule Weight: 442.7050000000003

TPSA: 52.6

MolLogP: 6.429000000000007

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information