Reissantin A
AlkaPlorer ID: AK024127
Synonym: '', 'Reissantin A'
IUPAC Name: [(1R,2S,5S,6S,7S,8S,9S,12S)-5,8-diacetyloxy-7-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] 1-methyl-6-oxopyridine-3-carboxylate
Structure
SMILES: CC(=O)O[C@H]1[C@H]2[C@H](OC(=O)C3=CN(C)C(=O)C=C3)[C@]3(OC2(C)C)[C@@](C)([C@@H](OC(C)=O)CC[C@]3(C)O)[C@@H]1OC(=O)C1=CC=CC=C1
InChI: InChI=1S/C33H39NO11/c1-18(35)41-22-15-16-31(5,40)33-26(43-29(39)21-13-14-23(37)34(7)17-21)24(30(3,4)45-33)25(42-19(2)36)27(32(22,33)6)44-28(38)20-11-9-8-10-12-20/h8-14,17,22,24-27,40H,15-16H2,1-7H3/t22-,24-,25-,26-,27+,31-,32-,33+/m0/s1
InChIKey: PEFXNCJFEYSZKT-YVKRYDSDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reissantia buchananii | Reissantia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 625.6710000000004
TPSA？: 156.65999999999997
MolLogP？: 2.7282
Number of H-Donors: 1
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|