Catalog Number:
AG00FF7O
Chemical Name:
Agarotetrol (AHl)
CAS Number:
69809-22-9
Molecular Formula:
C17H18O6
Molecular Weight:
318.3212
MDL Number:
MFCD30533225
IUPAC Name:
(5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
InChI:
InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15+,16-/m0/s1
InChI Key:
CWMIROLCTHMEEO-JJXSEGSLSA-N
SMILES:
O[C@@H]1[C@H](O)[C@@H](O)c2c([C@H]1O)oc(cc2=O)CCc1ccccc1
