(1S,6R,7S,10R,15R,18S,19R,22S)-6,18-dimethyl-4-oxo-5-oxa-16-azahexacyclo[14.5.1.0¹,⁶.0⁷,¹⁵.0¹⁰,¹⁴.0¹⁹,²²]docos-13-en-16-ium-16-olate

AlkaPlorer ID: AK319825

Synonym: None

IUPAC Name: None

Structure

SMILES: C[C@@H]1C[N@@+]2([O-])[C@H]3C4=CCC[C@@H]4CC[C@@H]3[C@@]3(C)OC(=O)CC[C@]34CC[C@H]1[C@@H]42

copy

InChI: InChI=1S/C22H31NO3/c1-13-12-23(25)19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)26-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14-,15-,17+,19+,20+,21-,22+,23-/m1/s1

copy

InChIKey: PTOMOLGIAURSGE-RRBBHKGTSA-N

copy

Reference

SuperNatural Ⅲ: SN0294820-05

NPASS: NPC299889

Properties Information

Molecule Weight: 357.49400000000014

TPSA: 49.36

MolLogP: 3.940000000000003

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information