Description
IUPAC Name: (4S)-4-(hydroxymethyl)-5,5-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one
InChI: InChI=1S/C16H26O8/c1-16(2)4-9(19)3-8(10(16)5-17)7-23-15-14(22)13(21)12(20)11(6-18)24-15/h3,10-15,17-18,20-22H,4-7H2,1-2H3/t10-,11-,12-,13+,14-,15-/m1/s1
InChIKey: XBRXLXOCHNGHBC-PLJUSGQGSA-N
Canonical SMILES: CC1(CC(=O)C=C(C1CO)COC2C(C(C(C(O2)CO)O)O)O)C
Isomeric SMILES: CC1(CC(=O)C=C([C@H]1CO)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C
Synonyms: Jasminoside B; 214125-04-9; (4S)-4-(hydroxymethyl)-5,5-dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-one; HY-N4319; AKOS040760491; DA-64618; CS-0032742
Botanical Source: Gardenia jasminoides Ellis