[(10Z)-4,9,13-tris(acetyloxy)-8-(benzoyloxy)-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0?,?]hexadec-10-en-6-yl]methyl pyridine-3-carboxylate
AlkaPlorer ID: AK596911
Synonym: None
IUPAC Name: [(1R,3R,4S,5R,6R,7R,8S,9R,10E,12S,13S,14R)-4,9,13-triacetyloxy-8-benzoyloxy-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-6-yl]methyl pyridine-3-carboxylate
Structure
SMILES: CC(=O)O[C@H]1[C@@H]2[C@@H]([C@H](OC(=O)C3=CC=CC=C3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)[C@]2(C)COC(=O)C1=CC=CN=C1
InChI: InChI=1S/C39H43NO12/c1-20-16-39-34(50-25(6)43)21(2)17-38(39,52-39)33(44)22(3)31(49-24(5)42)28-29(37(28,7)19-47-35(45)27-14-11-15-40-18-27)32(30(20)48-23(4)41)51-36(46)26-12-9-8-10-13-26/h8-16,18,21-22,28-32,34H,17,19H2,1-7H3/b20-16+/t21-,22-,28+,29+,30-,31-,32+,34+,37-,38+,39+/m1/s1
InChIKey: ZUOLHGQLXMMZGR-BAQODWNSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia marginata | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 717.7680000000001
TPSA？: 173.99
MolLogP？: 4.224100000000004
Number of H-Donors: 0
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|