[(7R,7aS)-7-{[(2S,3S)-2,3-dihydroxy-2-methylbutanoyl]oxy}-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
AlkaPlorer ID: AK158497
Synonym: None
IUPAC Name: [(7R,8S)-7-[(2S,3S)-2,3-dihydroxy-2-methylbutanoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
Structure
SMILES: CC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](OC(=O)[C@@](C)(O)[C@H](C)O)[C@H]12)[C@@H](C)O
InChI: InChI=1S/C20H33NO8/c1-11(2)20(27,13(4)23)18(25)28-10-14-6-8-21-9-7-15(16(14)21)29-17(24)19(5,26)12(3)22/h6,11-13,15-16,22-23,26-27H,7-10H2,1-5H3/t12-,13+,15+,16-,19-,20-/m0/s1
InChIKey: JRIDDIGGYCXEIK-KQWHETRISA-N
Reference
Pyrrolizidine alkaloids from Cryptantha species
PubChem CID: 162981148
LOTUS: LTS0048888
SuperNatural Ⅲ: SN0173134-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cryptantha leiocarpa | Cryptantha | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 415.48300000000006
TPSA？: 136.76
MolLogP？: -0.6445999999999978
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|