Reissantin C
AlkaPlorer ID: AK015003
Synonym: ''
IUPAC Name: [(1S,2S,5S,6S,7R,8S,9R,12R)-12-acetyloxy-5,7-bis(furan-3-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-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@H](OC(=O)C3=COC=C3)[C@]3(C)[C@@H](OC(=O)C4=COC=C4)CC[C@](C)(O)[C@@]13OC2(C)C
InChI: InChI=1S/C34H37NO13/c1-18(36)44-26-24-25(46-28(38)19-7-8-23(37)35(6)15-19)27(47-30(40)21-11-14-43-17-21)33(5)22(45-29(39)20-10-13-42-16-20)9-12-32(4,41)34(26,33)48-31(24,2)3/h7-8,10-11,13-17,22,24-27,41H,9,12H2,1-6H3/t22-,24+,25-,26+,27-,32-,33-,34-/m0/s1
InChIKey: JRHJSZMJYORLNR-RAMPUJJFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reissantia buchananii | Reissantia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 667.6640000000001
TPSA？: 182.94
MolLogP？: 3.208100000000001
Number of H-Donors: 1
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|