Taccaoside E

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Catalog Number ACM1858199004
Product Name Taccaoside E
CAS Number 1858199-00-4
IUPAC Name [(2R,3R,4S,5R,6R)-3-hydroxy-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]methyl acetate
Molecular Weight 911.1
Molecular Formula C47H74O17
Canonical SMILES CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)COC(=O)C)O)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
Inchi InChI=1S/C47H74O17/c1-20-10-15-47(57-18-20)21(2)32-30(64-47)17-29-27-9-8-25-16-26(11-13-45(25,6)28(27)12-14-46(29,32)7)60-44-41(63-43-39(55)37(53)34(50)23(4)59-43)40(35(51)31(61-44)19-56-24(5)48)62-42-38(54)36(52)33(49)22(3)58-42/h8,20-23,26-44,49-55H,9-19H2,1-7H3/t20-,21+,22+,23+,26+,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,39-,40+,41-,42+,43+,44-,45+,46+,47-/m1/s1
InChIKey LMVFODAQZPSFBM-CXHYRJMTSA-N
Purity 98%
Appearance Powder

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