(1S,2S,5S,6S,7S,9R,12R)-5,7-bis(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl pyridine-2-carboxylate
AlkaPlorer ID: AK096198
Synonym: None
IUPAC Name: [(1S,2S,5S,6S,7S,9R,12R)-5,7-dibenzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyridine-2-carboxylate
Structure
SMILES: CC1(C)O[C@]23[C@H](OC(=O)C4=CC=CC=N4)[C@H]1C[C@H](OC(=O)C1=CC=CC=C1)[C@]2(C)[C@@H](OC(=O)C1=CC=CC=C1)CC[C@]3(C)O
InChI: InChI=1S/C35H37NO8/c1-32(2)24-21-27(42-30(38)23-15-9-6-10-16-23)34(4)26(41-29(37)22-13-7-5-8-14-22)18-19-33(3,40)35(34,44-32)28(24)43-31(39)25-17-11-12-20-36-25/h5-17,20,24,26-28,40H,18-19,21H2,1-4H3/t24-,26+,27+,28-,33+,34+,35+/m1/s1
InChIKey: XZAJSTXMXFVKRX-IVAOALDJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tripterygium regelii | Tripterygium | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 599.6800000000002
TPSA？: 121.25
MolLogP？: 5.176800000000006
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|