TAN 1496B
AlkaPlorer ID: AK012062
Synonym: 'Sirodesmin A', 'SMR001565700', "Spirofuran-2(3H),7'(8'H)-3,9a(iminomethano)9aH cyclopenta4,5pyrrolo2,1-c1,2,4dithiazine- 3,4',10'(3'H)-trione, 8'-(acetyloxy)-4,5,5'a,6',8'a,9'-hexahydro-8'a-hydroxy- 3'-(hydroxymethyl)-4,4,5,11'-tetramethyl-", 'MLS002702135', 'MLSMR'
IUPAC Name: [(1R,3S,4S,5R,5'R,7R,10R)-3-hydroxy-10-(hydroxymethyl)-4',4',5',14-tetramethyl-3',9,13-trioxospiro[11,12-dithia-8,14-diazatetracyclo[8.2.2.01,8.03,7]tetradecane-5,2'-oxolane]-4-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1[C@]2(O)C[C@]34SS[C@](CO)(C(=O)N3[C@@H]2C[C@@]12O[C@H](C)C(C)(C)C2=O)N(C)C4=O
InChI: InChI=1S/C20H26N2O8S2/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,32-31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3/t9-,11-,13+,17+,18+,19-,20-/m1/s1
InChIKey: KTAIGLOGMSQPCG-AUVCUMBHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Coelogyne ovalis | Coelogyne | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 486.5680000000003
TPSA？: 133.68
MolLogP？: -0.3414999999999994
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|