(1S,3R,15S,18S,19R,20R,21R,22S,23R,24R,25R,26S)-20,22,23-tris(acetyloxy)-21-[(acetyloxy)methyl]-19-(benzoyloxy)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7(12),8,10-trien-25-yl pyridine-3-carb
AlkaPlorer ID: AK584754
Synonym: None
IUPAC Name: [20,22,23-triacetyloxy-21-(acetyloxymethyl)-19-benzoyloxy-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-25-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(=O)C4=CC=CN=C4)C14OC3(C)COC(=O)C1=CC=CN=C1CCC(C)C(=O)OC(C(OC(=O)C1=CC=CC=C1)C2OC(C)=O)C4(C)O
InChI: InChI=1S/C47H50N2O18/c1-24-17-18-32-31(16-12-20-49-32)43(57)60-22-44(6)33-34(61-26(3)51)38(62-27(4)52)46(23-59-25(2)50)39(63-28(5)53)35(64-41(55)29-13-9-8-10-14-29)37(66-40(24)54)45(7,58)47(46,67-44)36(33)65-42(56)30-15-11-19-48-21-30/h8-16,19-21,24,33-39,58H,17-18,22-23H2,1-7H3
InChIKey: YRVWWVNUBBKXKO-UHFFFAOYSA-N
Reference
Sesquiterpene Pyridine Alkaloids from Maytenus ilicifolia
PubChem CID: 163039555
LOTUS: LTS0248954
COCONUT: CNP0320075.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monteverdia ilicifolia | Monteverdia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 930.913
TPSA？: 265.64
MolLogP？: 2.845400000000003
Number of H-Donors: 1
Number of H-Acceptors: 20
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|