Molecule

(1R,2R,4S,5R,8S,10R,12R,13S,14R,16R,17R,19R)-11-ethyl-16-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-19-yl acetate

AlkaPlorer ID: AK591074

Synonym: None

IUPAC Name: [(1R,2R,4S,5R,8S,13S,14R,16S,17R,19R)-11-ethyl-16-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.01,14.02,12.04,13.05,10.08,13]icosan-19-yl] acetate

Structure

SMILES: C=C1[C@H]2C[C@@]3([C@@H]1OC(C)=O)[C@@H](C[C@@H]2O)[C@@]12C4[C@@H]3C[C@@H]1[C@@]1(C)CC[C@@H]2OC1N4CC

InChI: InChI=1S/C24H33NO4/c1-5-25-19-14-8-16-22(4)7-6-18(29-21(22)25)24(16,19)17-9-15(27)13-10-23(14,17)20(11(13)2)28-12(3)26/h13-21,27H,2,5-10H2,1,3-4H3/t13-,14+,15+,16-,17-,18+,19?,20-,21?,22-,23+,24+/m1/s1

InChIKey: ZHCWRURMFHHTTG-RAGRHMKSSA-N

Reference

Two New C20-Diterpenoid Alkaloids from Aconitum yesoense var. macroyesoense (Nakai) Tamura, Structures of Dehydrolucidusculine and N-Deethyldehydrolucidusculine

PubChem CID: 102585909

LOTUS: LTS0194387

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aconitum pendulum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 399.5310000000002

TPSA？: 59.00000000000001

MolLogP？: 2.726600000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 9

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi