Description
IUPAC Name: (1R,2S,3S,7S,9R,12R,13R,14S,15R,16R,17S)-3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
InChI: InChI=1S/C20H28O8/c1-7-5-10(21)15(24)18(3)9(7)6-11-19(4)14(18)13(23)12(22)8(2)20(19,27)16(25)17(26)28-11/h5,8-9,11-16,22-25,27H,6H2,1-4H3/t8-,9-,11+,12+,13-,14+,15+,16-,18-,19+,20-/m0/s1
InChIKey: NWNMAVFXIRDAPM-RELKVJPISA-N
Canonical SMILES: CC1C(C(C2C3(C(CC4C2(C1(C(C(=O)O4)O)O)C)C(=CC(=O)C3O)C)C)O)O
Isomeric SMILES: C[C@H]1[C@H]([C@@H]([C@@H]2[C@@]3([C@@H](C[C@@H]4[C@]2([C@]1([C@H](C(=O)O4)O)O)C)C(=CC(=O)[C@H]3O)C)C)O)O
Synonyms: 14,15beta-dihydroxyklaineanone; 137359-82-1; 14,15-beta-dihydroxyklaineanone; 14,15 ; A-Dihydroxyklaineanone; (1R,2S,3S,7S,9R,12R,13R,14S,15R,16R,17S)-3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione; CHEMBL1080347; HY-N4326; …
Botanical Source: Tongkat Ali