(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23R,24R,25S)-19,21,22,24-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0¹,²⁰.0³,²³.0⁷,¹²]pentacosa-7(12),8,10-trien-18-yl benzoate
AlkaPlorer ID: AK321078
Synonym: None
IUPAC Name: [19,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] benzoate
Structure
SMILES: CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)C1=CC=CN=C1C(C)C(C)C(=O)OC(C(OC(=O)C1=CC=CC=C1)C2OC(C)=O)C4(C)O
InChI: InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(60-38(51)27-14-11-10-12-15-27)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3
InChIKey: LBQLWUULERJYOL-UHFFFAOYSA-N
Reference
Sesquiterpene pyridine alkaloids from Peritassa campestris
PubChem CID: 75051808
CAS: 146439-78-3
LOTUS: LTS0254111
COCONUT: CNP0149757.6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peritassa campestris | Peritassa | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tripterygium forrestii | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 867.8540000000004
TPSA？: 252.75
MolLogP？: 2.327400000000003
Number of H-Donors: 1
Number of H-Acceptors: 19
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|