4(20),11-Taxadiene-2,5,7,9,10,13-hexol; (2α,5α,7β,9α,10β,13α)-form, 4β,20-Epoxide, 5-O-(3ξ-dimethylamino-3-phenylpropanoyl), 2,7,9,10,13-penta-Ac
AlkaPlorer ID: AK315004
Synonym: 7-Acetoxy-9-acetylspicataxine
IUPAC Name: (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) 3-(dimethylamino)-3-phenylpropanoate
Structure
SMILES: CC(=O)OC1CC2C(OC(C)=O)C3C4(CO4)C(OC(=O)CC(C4=CC=CC=C4)N(C)C)CC(OC(C)=O)C3(C)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(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
InChIKey: NCVLHUMLSYFYEW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus x media | Taxus | Taxaceae | Cupressales | Pinopsida | 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 |
|---|