Molecule

(1S,4Z,5S,6S,7S)-7-(acetyloxy)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-5-yl acetate

AlkaPlorer ID: AK209769

Synonym: None

IUPAC Name: [(1R,4Z,5S,6S,7S,11Z)-7-acetyloxy-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-5-yl] acetate

Structure

SMILES: C/C=C1\C(=O)O[C@@H]2CCN(C)C/C=C(/COC(=O)[C@@](C)(OC(C)=O)[C@@H](C)[C@@H]1OC(C)=O)C2=O

InChI: InChI=1S/C23H31NO9/c1-7-17-20(31-14(3)25)13(2)23(5,33-15(4)26)22(29)30-12-16-8-10-24(6)11-9-18(19(16)27)32-21(17)28/h7-8,13,18,20H,9-12H2,1-6H3/b16-8-,17-7-/t13-,18+,20-,23-/m0/s1

InChIKey: AXKQLQXZIOIGKA-QJLOSVKLSA-N

Reference

Characterization of Two Structural Forms of Otonecine-Type Pyrrolizidine Alkaloids from <i>Ligularia hodgsonii</i> by NMR Spectroscopy

PubChem CID: 21606532

LOTUS: LTS0130491

SuperNatural Ⅲ: SN0017947-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ligularia hodgsonii	Ligularia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 465.49900000000025

TPSA？: 125.51

MolLogP？: 1.1219000000000006

Number of H-Donors: 0

Number of H-Acceptors: 10

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi