Irregularasulfate
AlkaPlorer ID: AK077269
Synonym: '', 'irregularasulfate'
IUPAC Name: [(2R)-2-[2-[(1R,2R,4aS)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-5-[1-(3-methylbutyl)-5-oxo-2H-pyrrol-4-yl]pentyl] hydrogen sulfate
Structure
SMILES: CC(C)CCN1CC=C(CCC[C@H](CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@H]2C)COS(=O)(=O)O)C1=O
InChI: InChI=1S/C30H51NO5S/c1-22(2)15-19-31-20-16-25(28(31)32)10-7-9-24(21-36-37(33,34)35)14-18-30(6)23(3)12-13-26-27(30)11-8-17-29(26,4)5/h11,16,22-24,26H,7-10,12-15,17-21H2,1-6H3,(H,33,34,35)/t23-,24-,26-,30-/m1/s1
InChIKey: WCHHCUSNEGNTQI-JVUUKAHWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spongia irregularis | Spongia | Spongiidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 537.8070000000004
TPSA？: 83.91
MolLogP？: 6.986000000000008
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|