Beauverolide N
AlkaPlorer ID: AK040889
Synonym: None
IUPAC Name: (3R,6S,9S,13S)-13-[(2S)-hexan-2-yl]-9-[(4-hydroxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Structure
SMILES: CCCC[C@H](C)[C@@H]1CC(O)=N[C@@H](CC2=CC=C(O)C=C2)C(O)=N[C@@H](C)C(O)=N[C@H](CC(C)C)C(=O)O1
InChI: InChI=1S/C27H41N3O6/c1-6-7-8-17(4)23-15-24(32)29-21(14-19-9-11-20(31)12-10-19)26(34)28-18(5)25(33)30-22(13-16(2)3)27(35)36-23/h9-12,16-18,21-23,31H,6-8,13-15H2,1-5H3,(H,28,34)(H,29,32)(H,30,33)/t17-,18-,21-,22+,23-/m0/s1
InChIKey: NWKVHYRNFXGDJI-GZEZKRSXSA-N
Reference
Sequencing of new beauverolides by high‐performance liquid chromatography and mass spectrometry
PubChem CID: 139583917
LOTUS: LTS0114551
{NPAtlas: NPA002946
Source
Properties Information
Molecule Weight: 503.6400000000002
TPSA？: 144.3
MolLogP？: 5.117800000000004
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
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