Molecule

4-(acetyloxy)-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadec-11-en-8-yl hexadecanoate

AlkaPlorer ID: AK132758

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-4-acetyloxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-en-8-yl] hexadecanoate

Structure

SMILES: CCCCCCCCCCCCCCCC(=O)O[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)[C@@]13[C@@H](OC)CC[C@@]4(COC)C=N[C@@H]1[C@@H]2C[C@H]43

InChI: InChI=1S/C40H65NO7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(43)48-39-24-31(45-4)28-22-29(35(39)36(28)47-27(2)42)40-32-23-30(39)37(40)41-25-38(32,26-44-3)21-20-33(40)46-5/h25,28-33,35-37H,6-24,26H2,1-5H3/t28-,29-,30+,31+,32-,33+,35-,36+,37-,38+,39+,40-/m1/s1

InChIKey: WHWURDKMQDQFAX-QORIEWQYSA-N

Reference

Norditerpenoid alkaloids from Aconitum transsectum

PubChem CID: 101939156

LOTUS: LTS0062900

NPASS: NPC71691

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Elsholtzia stauntonii	Elsholtzia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lycoris sanguinea	Lycoris	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pestalotiopsis fici	Pestalotiopsis	Sporocadaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Chrysolaena flexuosa	Chrysolaena	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 671.9599999999999

TPSA？: 92.65

MolLogP？: 7.8831000000000095

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi