Beauverolide P
AlkaPlorer ID: AK040902
Synonym: None
IUPAC Name: (3R,6S,9S,13S)-6-methyl-3-(2-methylpropyl)-13-[(2S)-octan-2-yl]-9-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Structure
SMILES: CCCCCC[C@H](C)[C@@H]1CC(O)=N[C@@H](C(C)C)C(O)=N[C@@H](C)C(O)=N[C@H](CC(C)C)C(=O)O1
InChI: InChI=1S/C25H45N3O5/c1-8-9-10-11-12-17(6)20-14-21(29)28-22(16(4)5)24(31)26-18(7)23(30)27-19(13-15(2)3)25(32)33-20/h15-20,22H,8-14H2,1-7H3,(H,26,31)(H,27,30)(H,28,29)/t17-,18-,19+,20-,22-/m0/s1
InChIKey: URWKWOOBBPTCLZ-OTVISBKVSA-N
Reference
Sequencing of new beauverolides by high‐performance liquid chromatography and mass spectrometry
PubChem CID: 139585070
LOTUS: LTS0199579
{NPAtlas: NPA007005
Source
Properties Information
Molecule Weight: 467.6510000000002
TPSA？: 124.07
MolLogP？: 5.605700000000005
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 1
Activities Information
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