wilfordinine C
AlkaPlorer ID: AK001854
Synonym: '', 'Wilfordinine C'
IUPAC Name: [(1R,3S,13R,14S,17S,18R,19S,20S,21R,22R,23S,24S,25S)-18,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-19-yl] benzoate
Structure
SMILES: CC(=O)OC[C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@@H](OC(C)=O)[C@@H]3OC(=O)[C@@](C)(O)[C@H](C)C4=CC=NC=C4C(=O)OC[C@@]4(C)O[C@]1([C@@H](OC(C)=O)[C@@H]4[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]3(C)O
InChI: InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(60-25(6)49)42(19-55-21(2)45)35(61-36(50)26-13-11-10-12-14-26)31(58-23(4)47)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)59-24(5)48/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20-,29+,30-,31+,32+,33+,34+,35-,39-,40+,41+,42+,43-/m1/s1
InChIKey: XTKWHABDRIDBLJ-CJONQRLASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium wilfordii | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 883.8530000000002
TPSA？: 272.98
MolLogP？: 1.4423000000000028
Number of H-Donors: 2
Number of H-Acceptors: 20
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|