Description
26-Deoxycimicifugoside is a triterpenoid compound identified in the rhizoma of Cimicifuga foetida L.
IUPAC Name: [(1R,1’S,3’R,4S,4’R,5R,5’R,6’R,10’S,12’S,16’R,18’S,21’R)-1,4′,6′,12′,17′,17′-hexamethyl-18′-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8′-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3′-yl] acetate
InChI: InChI=1S/C37H54O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h9,18,20-22,24-30,39-41H,8,10-17H2,1-7H3/t18-,20-,21+,22+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1
InChIKey: PBKJAWKRZRAQQO-YTGDHQJGSA-N
SMILES: C[C@@H]1C[C@@]2([C@H]3[C@](O3)(CO2)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C
Synonyms: 26-Deoxycimicifugoside; 214146-75-5; 7,8-Didehydro-27-deoxyactein; 9H7XN615A3; UNII-9H7XN615A3; [(1R,1’S,3’R,4S,4’R,5R,5’R,6’R,10’S,12’S,16’R,18’S,21’R)-1,4′,6′,12′,17′,17′-hexamethyl-18′-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8′-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3′-yl] acetate; 26-DEOXYCIMICIFUGOSIDE, (-)-; beta-D-Xylopyranoside, (3beta,12beta,16beta,23S,24R,25R)-12-(acetyloxy)-16,23:23,26:24,25-triepoxy-9,19-cyclolanost-7-en-3-yl; …
Botanical Source: Cimicifuga dahurica (Turcz.) Maxim