O-7-Angelylheliotridine
AlkaPlorer ID: AK001565
Synonym: '7-Tigloylheliotridine', '', '7-Angelylretronecine', 'Retronecine 7-(2-methylcrotonate)', '7-Angeloylheliotridine', 'O-7-Angelylretronecine', 'Rivularine', '7-Angeloylretronecine', 'O-7-Angelylheliotridine', 'O7-angelylheliotridine', '7-Tigloylretronecine', '7-O-Angeloylheliotridine'
IUPAC Name: [(1R,8S)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12
InChI: InChI=1S/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12+/m1/s1
InChIKey: TYGYPIIOOQNWBU-KKXNAPIPSA-N
Reference
Pyrrolizidine alkaloids from Alkanna tinctoria
PubChem CID: 643693
LOTUS: LTS0105690
SuperNatural Ⅲ: SN0363335-02
Source
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Properties Information
Molecule Weight: 237.29899999999995
TPSA？: 49.77
MolLogP？: 0.871
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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