3,8-Seco-3,8,11-taxatriene-2,5,7,9,10,13,20-heptol; (2α,3E,5α,7β,8E,10β,13α)-form, 5-O-(3S-Dimethylamino-2R-hydroxy-3-phenylpropanoyl), hexa-Ac
AlkaPlorer ID: AK313250
Synonym: 5-(Dimethylphenylisoseryl)taxachitriene A
IUPAC Name: [2,7,9,10,13-pentaacetyloxy-4-(acetyloxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
Structure
SMILES: CC(=O)OCC1=CC(OC(C)=O)C2CC(OC(C)=O)C(C)=C(C(OC(C)=O)C(OC(C)=O)=C(C)C(OC(C)=O)CC1OC(=O)C(O)C(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
InChIKey: HECZDVAZGHHUKK-UHFFFAOYSA-N
Reference
Two New Taxanes from<i>Taxus chinensis</i>var.<i>mairei</i>
PubChem CID: 78407177
LOTUS: LTS0008824
COCONUT: CNP0296953.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Taxus chinensis | Taxus | Taxaceae | 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 |
|---|