Reissantin B
AlkaPlorer ID: AK024142
Synonym: '', 'Reissantin B'
IUPAC Name: [(1R,2S,4R,5S,6S,7S,8S,9S,12R)-5,8-diacetyloxy-4,7-dibenzoyloxy-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]1OC(=O)C1=CC=CC=C1)[C@H](OC(C)=O)[C@H](OC(=O)C1=CC=CC=C1)C[C@]3(C)O
InChI: InChI=1S/C40H43NO13/c1-22(42)49-30-29-32(52-36(47)26-18-19-28(44)41(7)21-26)40(54-37(29,3)4)38(5,48)20-27(51-34(45)24-14-10-8-11-15-24)31(50-23(2)43)39(40,6)33(30)53-35(46)25-16-12-9-13-17-25/h8-19,21,27,29-33,48H,20H2,1-7H3/t27-,29+,30+,31-,32-,33-,38+,39+,40-/m1/s1
InChIKey: BCEBTLZBEYCGQV-CGKSABMNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reissantia buchananii | Reissantia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 745.7780000000002
TPSA？: 182.96
MolLogP？: 3.563700000000001
Number of H-Donors: 1
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|