Cimicifugoside


CAS No. : 66176-93-0

Cimicifugoside,66176-93-0
Product Details
Cat No:R074718
Synonyms:Cimicifugoside
Molecular Formula:C37H54O11
Molecular Weight:674.8
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Cat No:R074718
Cas No:66176-93-0
Product-Name:Cimicifugoside
IUPAC Name:[(1''S,3''R,4''R,5''R,6''R,10''S,12''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]docos-13-ene]-3''-yl] acetate
InChI:InChI=1S/C37H54O11/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/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23+,24-,25+,26+,27-,28+,29?,30?,32+,33-,34?,35-,36+,37?/m1/s1
InChIKey:XUJMHSCMPCZWOV-UJAIUVFWSA-N
SMILES:CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(C(CC67CC68CCC(C(C8CC=C7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C

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