Molecule

(1R,2S,5S,7S,10R,13S)-2,7,9,10,13-pentakis(acetyloxy)-4-[(acetyloxy)methyl]-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

AlkaPlorer ID: AK319810

Synonym: None

IUPAC Name: [(1R,2S,3E,5S,7S,8E,10R,13S)-2,7,9,10,13-pentaacetyloxy-4-(acetyloxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

Structure

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

InChI: InChI=1S/C43H57NO15/c1-22-33(54-25(4)46)19-32-36(56-27(6)48)18-31(21-53-24(3)45)35(59-42(52)39(51)38(44(11)12)30-16-14-13-15-17-30)20-34(55-26(5)47)23(2)40(57-28(7)49)41(58-29(8)50)37(22)43(32,9)10/h13-18,32-36,38-39,41,51H,19-21H2,1-12H3/b31-18+,40-23+/t32-,33-,34-,35-,36-,38-,39+,41+/m0/s1

InChIKey: HECZDVAZGHHUKK-ZABKVODASA-N

Reference

Two New Taxanes from<i>Taxus chinensis</i>var.<i>mairei</i>

PubChem CID: 100931295

LOTUS: LTS0254952

SuperNatural Ⅲ: SN0123135-06

NPASS: NPC298676

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Maianthemum atropurpureum	Maianthemum	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dictyostelium mucoroides	Dictyostelium	Dictyosteliaceae	Dictyosteliales	Eumycetozoa	Evosea	None	Eukaryota
Ophiocordyceps sinensis	Ophiocordyceps	Ophiocordycipitaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Equisetum hyemale	Equisetum	Equisetaceae	Equisetales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Rheum tataricum	Rheum	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alangium longiflorum	Alangium	Cornaceae	Cornales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leucopaxillus cerealis	Leucopaxillus	Tricholomataceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Calceolaria petiolaris	Calceolaria	Calceolariaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ptilocaulis walpersi	Ptilocaulis	Axinellidae	Axinellida	Demospongiae	Porifera	Metazoa	Eukaryota
Athrotaxis selaginoides	Athrotaxis	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 827.9210000000002

TPSA？: 207.57

MolLogP？: 4.381700000000004

Number of H-Donors: 1

Number of H-Acceptors: 16

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi