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name Structure Reference Source Properties Activities Metabolism

(1R,3R,4R,5R,7S,10R,11R,12R,14S)-4,11,12-tris(acetyloxy)-1-hydroxy-10,14,17-trimethyl-6-methylidene-16-oxatetracyclo[11.3.1.0³,¹⁴.0⁵,¹⁰]heptadec-13(17)-en-7-yl (3R)-3-(dimethylamino)-3-phenylpropanoate

AlkaPlorer ID: AK003410

Synonym: None

IUPAC Name: [(1R,3R,4R,5R,7S,10R,11R,12R,14S)-4,11,12-triacetyloxy-1-hydroxy-10,14,17-trimethyl-6-methylidene-16-oxatetracyclo[11.3.1.03,14.05,10]heptadec-13(17)-en-7-yl] (3R)-3-(dimethylamino)-3-phenylpropanoate

Structure

SMILES: C=C1[C@@H](OC(=O)C[C@H](C2=CC=CC=C2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@]4(O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)[C@]3(C)CO4

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InChI: InChI=1S/C37H49NO10/c1-20-28(48-29(42)17-27(38(8)9)25-13-11-10-12-14-25)15-16-35(6)30(20)32(45-22(3)39)26-18-37(43)21(2)31(36(26,7)19-44-37)33(46-23(4)40)34(35)47-24(5)41/h10-14,26-28,30,32-34,43H,1,15-19H2,2-9H3/t26-,27+,28-,30-,32+,33+,34-,35+,36-,37+/m0/s1

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InChIKey: GQESCWOGMSFPPK-CFGDUKOBSA-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: 667.7960000000003

TPSA？: 137.89999999999998

MolLogP？: 4.433900000000004

Number of H-Donors: 1

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information