Catalog Number:
AG002EHS
Chemical Name:
5-Tridecanone, 13-[(2R,3R,4S,5R)-3-(β-D-glucopyranosyloxy)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxy-
CAS Number:
190317-46-5
Molecular Formula:
C24H45NO10
Molecular Weight:
507.6148
IUPAC Name:
1-hydroxy-13-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-yl]tridecan-5-one
InChI:
InChI=1S/C24H45NO10/c26-12-8-7-10-15(29)9-5-3-1-2-4-6-11-16-23(19(30)17(13-27)25-16)35-24-22(33)21(32)20(31)18(14-28)34-24/h16-28,30-33H,1-14H2/t16?,17-,18-,19+,20-,21+,22-,23-,24+/m1/s1
InChI Key:
XRCYKIVYVCRJAM-OWASOCSESA-N
SMILES:
OCCCCC(=O)CCCCCCCC[C@H]1N[C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)CO