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D-(+)-Cellohexose Eicosaacetate

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For Research Use Only | Not For Clinical Use
CATAPS355012918
CAS355012-91-8
IUPAC Name[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2R,3R,4S,5R)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
Molecular Weight1831.59
Molecular FormulaC76H102O51
Canonical SMILESCC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(=O)C)O[C@@H](O[C@@H]3[C@@H](COC(=O)C)OC(OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]4O[C@H](COC(=O)C)[C@@H](O[C@@H]5O[C@H](COC(=O)C)[C@@H](O[C@@H]6O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]6OC(=O)C)[C@H](OC(=O)C)[C@H]5OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C
InChIInChI=1S/C76H102O51/c1-27(77)97-21-47-53(103-33(7)83)59(104-34(8)84)66(111-41(15)91)72(118-47)124-55-49(23-99-29(3)79)120-74(68(113-43(17)93)61(55)106-36(10)86)126-57-51(25-101-31(5)81)122-76(70(115-45(19)95)63(57)108-38(12)88)127-58-52(26-102-32(6)82)121-75(69(114-44(18)94)64(58)109-39(13)89)125-56-50(24-100-30(4)80)119-73(67(112-42(16)92)62(56)107-37(11)87)123-54-48(22-98-28(2)78)117-71(116-46(20)96)65(110-40(14)90)60(54)105-35(9)85/h47-76H,21-26H2,1-20H3/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65-,66-,67-,68-,69-,70-,71?,72+,73+,74+,75+,76+/m1/s1
Accurate Mass1830.5388
FormatNeat
SubcategoryOligosaccharides
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  • Verification code
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