3'-Acetylheliosupine
AlkaPlorer ID: AK012087
Synonym: 'Acetylcynoglossophine', 'Cynoglossophine acetate', "Heliosupine 3'-acetate", 'Acetylheliosupine'
IUPAC Name: [(7S,8S)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-[(1S)-1-acetyloxyethyl]-2,3-dihydroxy-3-methylbutanoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)([C@H](C)OC(C)=O)C(C)(C)O)[C@@H]12
InChI: InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7-/t14-,17-,18-,22+/m0/s1
InChIKey: LHYJPODIMQKZHJ-ZUFLKMKTSA-N
Reference
Pyrrolizidine alkaloids from Cynoglossum creticum
PubChem CID: 6442660
CAS: 31514-30-4
LOTUS: LTS0179814
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echium vulgare | Echium | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 439.50500000000017
TPSA？: 122.6
MolLogP？: 0.8755000000000006
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|