$130.00
| CAS No.: | 18642-44-9 |
| Molecular Formula | C₃₇H₅₆O₁₁ |
| Molecular Weight | 676.8g/mol |
| Purity | HPLC>98% |
| Chemical Family | Triterpenoids |
| Weight |
|---|
IUPAC Name: [(1S,1’R,2S,3’R,4R,4’R,5R,5’R,6’R,10’S,12’S,13’S,16’R,18’S,21’R)-2-hydroxy-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/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1
InChIKey: NEWMWGLPJQHSSQ-PSDKAYTQSA-N
Canonical SMILES: CC1CC2(C3C(O3)(C(O2)O)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)([C@H](O2)O)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: Actein; 18642-44-9; Shengmating; UNII-I14QO4LW9V; I14QO4LW9V; 26S-ACTEIN; ACTEIN, (-)-; DTXSID7033153; …
Botanical Source: Cimicifugae rhizoma
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