| CAS Number | 214146-75-5 |
| Catalog Number | AG00BD2K(AGN-PC-0QXZHF) |
| Chemical Name | 26-Deoxycimicifugoside |
| 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 |
| InChI Key | PBKJAWKRZRAQQO-YTGDHQJGSA-N |
| MDL Number | MFCD07783723 |
| Molecular Formula | C37H54O10 |
| Molecular Weight | 658.8187 |
| SMILES | C[C@]12C=3[C@]4([C@]5(C4)[C@](C(C)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)CC5)(CC3)[H])C[C@@H](OC(C)=O)[C@]1(C)[C@@]7([C@](C2)(O[C@@]8(C[C@H]7C)[C@]9([C@](C)(O9)CO8)[H])[H])[H] |
| UNII | 9H7XN615A3 |
| Synonyms | 7,8-didehydro-27-deoxyactein,
26-Deoxycimicifugoside,
UNII-9H7XN615A3,
9H7XN615A3,
214146-75-5,
7,8-Didehydro-27-deoxyactein,
ZINC255257886,
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,
ACN-057091,
|