Molecule

2',7',9',10',13'-pentakis(acetyloxy)-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,?]pentadecan]-11'-en-5'-yl 3-(dimethylamino)-3-phenylpropanoate

AlkaPlorer ID: AK004746

Synonym: None

IUPAC Name: [(1'R,2S,2'R,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',7',9',10',13'-pentaacetyloxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] (3R)-3-(dimethylamino)-3-phenylpropanoate

Structure

SMILES: CC(=O)O[C@H]1[C@@H]2[C@]3(CO3)[C@@H](OC(=O)C[C@H](C3=CC=CC=C3)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C2=C(C)[C@@H](OC(C)=O)C[C@@H]1C2(C)C

InChI: InChI=1S/C41H55NO13/c1-21-30(50-22(2)43)17-28-35(52-24(4)45)37-40(9,38(54-26(6)47)36(53-25(5)46)34(21)39(28,7)8)31(51-23(3)44)19-32(41(37)20-49-41)55-33(48)18-29(42(10)11)27-15-13-12-14-16-27/h12-16,28-32,35-38H,17-20H2,1-11H3/t28-,29+,30-,31-,32-,35+,36+,37-,38-,40+,41-/m0/s1

InChIKey: NCVLHUMLSYFYEW-QJRDYPDMSA-N

Reference

PubChem CID: 5319245

NPASS: NPC28705

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pistacia chinensis	Pistacia	Anacardiaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ormosia macrophylla	Ormosia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pulicaria insignis	Pulicaria	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Beauveria bassiana	Beauveria	Cordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Nannocystis exedens	Nannocystis	Nannocystaceae	Nannocystales	None	Myxococcota	None	Bacteria
Guettarda platypoda	Guettarda	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Goniothalamus dolichocarpus	Goniothalamus	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Achyrocline tomentosa	Achyrocline	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taxus mairei	Taxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Allium angulosum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helicia nilagirica	Helicia	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Seiridium cupressi	Seiridium	Sporocadaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Lobelia inflata	Lobelia	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diploprion bifasciatum	Diploprion	Serranidae	Perciformes	Actinopteri	Chordata	Metazoa	Eukaryota
Lactarius deliciosus	Lactarius	Russulaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Picea jezoensis	Picea	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Alhagi maurorum	Alhagi	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Osmundaria spiralis	Osmundaria	Rhodomelaceae	Ceramiales	Florideophyceae	Rhodophyta	None	Eukaryota
Erythrophleum chlorostachys	Erythrophleum	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phaleria macrocarpa	Phaleria	Thymelaeaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 769.885

TPSA？: 173.56999999999996

MolLogP？: 4.421100000000003

Number of H-Donors: 0

Number of H-Acceptors: 14

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi