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name Structure Reference Source Properties Activities Metabolism

(1R,2R,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetrakis(acetyloxy)-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.0²,¹⁵.0⁵,¹⁰]heptadecan-8-yl (3R)-3-(dimethylamino)-3-phenylpropanoate

AlkaPlorer ID: AK002511

Synonym: None

IUPAC Name: [(1R,2R,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl] (3R)-3-(dimethylamino)-3-phenylpropanoate

Structure

SMILES: C=C1[C@@H](OC(=O)C[C@H](C2=CC=CC=C2)N(C)C)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(O)[C@@]4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12

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InChI: InChI=1S/C39H51NO13/c1-20-28(53-31(46)17-27(40(9)10)25-14-12-11-13-15-25)18-30(49-21(2)41)37(7)32(20)33(50-22(3)42)26-16-29(45)38(8)39(47,36(26,6)19-48-38)35(52-24(5)44)34(37)51-23(4)43/h11-15,26-28,30,32-35,47H,1,16-19H2,2-10H3/t26-,27+,28-,30-,32-,33+,34-,35-,36-,37+,38+,39-/m0/s1

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InChIKey: PQJOHGQAPUPRJS-KDPJYAIESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Taxus cuspidata Taxus Taxaceae Cupressales Pinopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 741.8310000000001

TPSA？: 181.26999999999995

MolLogP？: 3.029300000000002

Number of H-Donors: 1

Number of H-Acceptors: 14

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens KB Activity None None 10.1021/np0500880
Mus musculus L1210 Activity None None 10.1021/np0500880

Metabolism Information