$196.00
| CAS No.: | 264624-38-6 |
| Molecular Formula | C₃₇H₅₆O₁₀ |
| Molecular Weight | 660.8g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
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IUPAC Name: [(1R,1’R,3’R,4S,4’R,5R,5’R,6’R,10’S,12’S,13’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]docosane]-3′-yl] acetate
InChI: InChI=1S/C37H56O10/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/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1
InChIKey: GCMGJWLOGKSUGX-RBKCHLQLSA-N
Canonical SMILES: CC1CC2(C3C(O3)(CO2)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C
Isomeric 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[C@H]7[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: 27-Deoxyactein; 26-Deoxyactein; 264624-38-6; 26-deoxy-actein; UNII-2D5AUV13AX; 2D5AUV13AX; DTXSID20181062; [(1R,1’R,3’R,4S,4’R,5R,5’R,6’R,10’S,12’S,13’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]docosane]-3′-yl] acetate; …
Botanical Source: Cimicifugae rhizoma
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