18,19,21,24-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.0¹,²?.0³,²³.0?,¹²]pentacosa-7,9,11-trien-22-yl 2-methylpropanoate
AlkaPlorer ID: AK186204
Synonym: None
IUPAC Name: [18,19,21,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-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-22-yl] 2-methylpropanoate
Structure
SMILES: CC(=O)OCC12C(OC(C)=O)C(OC(=O)C(C)C)C3C(OC(C)=O)C14OC3(C)COC(=O)C1=CN=CC=C1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
InChI: InChI=1S/C40H51NO18/c1-17(2)34(47)57-28-27-30(54-22(7)44)40-38(11,50)31(29(53-21(6)43)33(56-24(9)46)39(40,16-51-20(5)42)32(28)55-23(8)45)58-35(48)19(4)18(3)25-12-13-41-14-26(25)36(49)52-15-37(27,10)59-40/h12-14,17-19,27-33,50H,15-16H2,1-11H3
InChIKey: JHFXSQDNWODNBP-UHFFFAOYSA-N
Reference
Sesquiterpene pyridine alkaloids from Hippocratea excelsa
PubChem CID: 163006527
LOTUS: LTS0021199
COCONUT: CNP0280968
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Semialarium mexicanum | Semialarium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 833.8370000000002
TPSA？: 252.75
MolLogP？: 1.6696000000000035
Number of H-Donors: 1
Number of H-Acceptors: 19
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|