Penarolide sulfate A1
AlkaPlorer ID: AK029064
Synonym: ''
IUPAC Name: [(15S,16R,17S,27S,30S)-27-butyl-2,29-dioxo-15,16-disulfonatooxy-28-oxa-1-azabicyclo[28.3.0]tritriacontan-17-yl] sulfate
Structure
SMILES: CCCC[C@H]1CCCCCCCCC[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])CCCCCCCCCCCCC(=O)N2CCC[C@H]2C(=O)O1
InChI: InChI=1S/C35H65NO15S3/c1-2-3-22-29-23-17-13-9-8-11-15-19-26-32(50-53(42,43)44)34(51-54(45,46)47)31(49-52(39,40)41)25-18-14-10-6-4-5-7-12-16-20-27-33(37)36-28-21-24-30(36)35(38)48-29/h29-32,34H,2-28H2,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)/p-3/t29-,30-,31-,32-,34+/m0/s1
InChIKey: OPRKYGFZNYRGSL-DLRNAMLRSA-K
Reference
PubChem CID: 21597354
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Penares | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 833.073999999999
TPSA？: 245.9
MolLogP？: 5.821300000000006
Number of H-Donors: 0
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|