Molecule

(1S,2R,3R,4R,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,8-diol

AlkaPlorer ID: AK319575

Synonym: None

IUPAC Name: 11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol

Structure

SMILES: CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23)C14)C5C6O

InChI: InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3

InChIKey: BDCURAWBZJMFIK-UHFFFAOYSA-N

Reference

Alkaloidas of Aconitum columbianum Nutt.

PubChem CID: 159891

CAS: 20501-56-8

LOTUS: LTS0093751

NPASS: NPC272290

COCONUT: CNP0224085.10

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aconitum variegatum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum talassicum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum nemorum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum legendrei	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 421.57800000000015

TPSA？: 71.39

MolLogP？: 1.5311999999999997

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi