[(7R,7aS)-7-{[(2R,3R)-3-chloro-2-hydroxy-2-methylbutanoyl]oxy}-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
AlkaPlorer ID: AK250951
Synonym: None
IUPAC Name: [(7R,8S)-7-[(2R,3R)-3-chloro-2-hydroxy-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)Cl)[C@H]12)[C@@H](C)O
InChI: InChI=1S/C20H32ClNO7/c1-11(2)20(27,13(4)23)18(25)28-10-14-6-8-22-9-7-15(16(14)22)29-17(24)19(5,26)12(3)21/h6,11-13,15-16,23,26-27H,7-10H2,1-5H3/t12-,13-,15-,16+,19+,20+/m1/s1
InChIKey: VMIXARLCRHUXRV-QWWDITNGSA-N
Reference
Pyrrolizidine alkaloids from Cryptantha species
PubChem CID: 162986068
LOTUS: LTS0032397
SuperNatural Ⅲ: SN0394164-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cryptantha leiocarpa | Cryptantha | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 433.9290000000001
TPSA？: 116.53
MolLogP？: 0.6019000000000001
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|