Kansuinin E
AlkaPlorer ID: AK029742
Synonym: ''
IUPAC Name: [(1R,3R,4S,6R,8R,9S,10S,12R,13R,14S,15S)-1,10,12,14-tetraacetyloxy-9-benzoyloxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-8-yl] pyridine-3-carboxylate
Structure
SMILES: C=C1[C@H](OC(C)=O)[C@@H](OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CN=C2)C(C)(C)[C@H]2O[C@H]2[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O
InChI: InChI=1S/C41H47NO14/c1-20-18-41(56-26(7)46)29(30(20)50-23(4)43)31(51-24(5)44)21(2)32(52-25(6)45)34(54-38(48)27-14-11-10-12-15-27)37(55-39(49)28-16-13-17-42-19-28)40(8,9)36-33(53-36)22(3)35(41)47/h10-17,19-20,22,29-34,36-37H,2,18H2,1,3-9H3/t20-,22+,29+,30-,31-,32-,33-,34+,36-,37-,41+/m0/s1
InChIKey: ILKUUGNKCOAKED-GAPWENIKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia kansui | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 777.8200000000002
TPSA？: 200.29
MolLogP？: 4.154200000000003
Number of H-Donors: 0
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|