(1R,7S,7aS)-4-ethyl-1-hydroxy-7-({[(2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-hexahydro-1H-pyrrolizin-4-ium
AlkaPlorer ID: AK253149
Synonym: None
IUPAC Name: [(1S,4R,7R,8S)-4-ethyl-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Structure
SMILES: CC[N@+]12CC[C@H](COC(=O)[C@@](O)(C(C)C)[C@H](C)O)[C@H]1[C@H](O)CC2
InChI: InChI=1S/C17H32NO5/c1-5-18-8-6-13(15(18)14(20)7-9-18)10-23-16(21)17(22,11(2)3)12(4)19/h11-15,19-20,22H,5-10H2,1-4H3/q+1/t12-,13+,14+,15-,17+,18+/m0/s1
InChIKey: LZVGZPQOSMEHKD-XFDSEBRXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lobophytum pauciflorum | Lobophytum | Alcyoniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| Citrus maxima | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 330.4450000000001
TPSA？: 86.99000000000001
MolLogP？: 0.2873000000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|