Acetylfawcettiine

AlkaPlorer ID: AK015103

Synonym: 'O-Acetylfawcettiine', 'beta-Lofoline acetate', 'Fawcettiine acetate'

IUPAC Name: [(1R,2R,10S,11R,13R,14R,15S)-14-acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate

Structure

SMILES: CC(=O)O[C@H]1[C@@H]2C[C@@H](OC(C)=O)[C@H]3CCCN4CCC[C@H]2[C@]34C[C@@H]1C

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InChI: InChI=1S/C20H31NO4/c1-12-11-20-16-6-4-8-21(20)9-5-7-17(20)18(24-13(2)22)10-15(16)19(12)25-14(3)23/h12,15-19H,4-11H2,1-3H3/t12-,15+,16+,17+,18+,19+,20+/m0/s1

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InChIKey: DTMAAKPCEFYPNL-PBDISUCTSA-N

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Reference

PubChem CID: 101500246

NPASS: NPC150419

Source

Properties Information

Molecule Weight: 349.4710000000001

TPSA: 55.84

MolLogP: 2.770300000000001

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information