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AG00FAPO

66176-93-0 | Cimicifugoside

Chemical structure of Cimicifugoside, CAS 66176-93-0
AG00FAPO
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sdsCOA

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CAS Number 66176-93-0
Catalog Number AG00FAPO(AGN-PC-0TJQLD)
Chemical 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
InChI Key XUJMHSCMPCZWOV-UJAIUVFWSA-N
MDL Number MFCD01075142
Molecular Formula C37H54O11
Molecular Weight 674.8181
SMILES O([C@H]1[C@@]([C@]2([C@]3(CC43C([C@]3([C@@]([C@@H](OC(C)=O)C4)(C)[C@H]4[C@H](C)C[C@@]5(O[C@@]4([H])C3)OC(O)[C@]3(O[C@@]53[H])C)C)=CC2)CC1)[H])(C)C)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Synonyms
cimicifugoside, Cimicifugoside, AC1L9BWW, C08935, AKOS015897138, I07-0299, 66176-93-0, CHEBI:3700, C37H54O11, CID441913, ACN-056686, C37-H54-O11, (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-12a-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-2,3,4a,5,6,7,8a,9,10,12,14,14a-dodecahydro-1H-picen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid,

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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited