CAS: 59678-46-5 | Enterocin, NX54318
SKU: NX54318-1MG
Product Identifiers
Catalog # | NX54318 |
CAS Number | 59678-46-5 |
PubChem CID | 23654446 |
Chemical Name | Enterocin |
IUPAC Name | (1S,2S,3S,6R,8R,9S,10R)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one |
InChI | InChI=1S/C22H20O10/c1-30-11-7-12(31-14(23)8-11)16-20(27)9-13-18(25)21(16,28)17(22(20,29)19(26)32-13)15(24)10-5-3-2-4-6-10/h2-8,13,16-18,25,27-29H,9H2,1H3/t13-,16-,17+,18-,20-,21+,22-/m1/s1 |
InChIKey | CTBBEXWJRAPJIZ-VHPBLNRZSA-N |
SMILES | COC1=CC(=O)OC(=C1)[C@@H]2[C@]3(O)C[C@H]4OC(=O)[C@]3(O)[C@@H](C(=O)c5ccccc5)[C@]2(O)[C@@H]4O |
MDL Number | MFCD01714909 |
Specification
MW | 444.4 |
MF | C22H20O10 |
Cat Number | BIBR1042 |
Manufacturer | Apollo Scientific |
Country of Origin | United Kingdom |