(1R,7aR)-7-({[(2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2S,3S)-2,3-dimethyloxirane-2-carboxylate
AlkaPlorer ID: AK264732
Synonym: None
IUPAC Name: [(1R,8R)-7-[[(2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoyl]oxymethyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate
Structure
SMILES: CC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12)[C@@H](C)O
InChI: InChI=1S/C20H31NO7/c1-11(2)20(25,12(3)22)18(24)26-10-14-6-8-21-9-7-15(16(14)21)27-17(23)19(5)13(4)28-19/h6,11-13,15-16,22,25H,7-10H2,1-5H3/t12-,13+,15-,16-,19+,20+/m1/s1
InChIKey: BWOZGTYKNKJGQD-JYVNSGPYSA-N
Reference
Pyrrolizidine alkaloids from Cryptantha species
PubChem CID: 163034001
LOTUS: LTS0008822
SuperNatural Ⅲ: SN0037455-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cryptantha leiocarpa | Cryptantha | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.4680000000001
TPSA？: 108.83
MolLogP？: 0.4010000000000007
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|