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Substance Name: Peracetyl(glu(1-3))(7)glucitol
RN: 107016-69-3
InChIKey: MTWNQMHWLWHXGH-XEUPFTBBSA-N

Molecular Formula

  • C102-H138-O68

Molecular Weight

  • 2452.1442
 
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Names and Synonyms

Name of Substance

  • Peracetyl(glu(1-3))(7)glucitol

Synonym

  • PAG 8

Systematic Name

  • D-Glucitol, O-2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl-(1-3)-O-2,4,6-tri-O-acetyl-beta-D-glucopyranosyl-(1-3)-O-2,4,6-tri-O-acetyl-beta-D-glucopyranosyl-(1-3)-O-2,4,6-tri-O-acetyl-beta-D-glucopyranosyl-(1-3)-O-2,4,6-tri-O-acetyl-beta-D-glucopyranosyl-1-(1-3)-O-2,4,6-tri-O-acetyl-beta-D-glucopyranosyl-(1-3)-O-2,4,6-tri-O-acetyl-beta-D-glucopyranosyl-(1-3)-, pentaacetate

Registry Numbers

CAS Registry Number

  • 107016-69-3

System Generated Number

  • 0107016693

Structure Descriptors

InChI

1S/C102H138O68/c1-34(104)58(35(2)105)25-60(143-43(10)113)70(68(36(3)106)37(4)107)74(144-44(11)114)59(27-142-96-89(152-52(19)122)83(150-50(17)120)76(146-46(13)116)67(160-96)33-141-57(24)157-95-73(129)72(128)71(127)61(26-103)159-95)69(94(130)131)81-88(151-51(18)121)82(75(145-45(12)115)62(158-81)28-136-38(5)108)165-97-92(155-55(22)125)86(80(169-101(132)133)66(164-97)32-140-42(9)112)168-99-91(154-54(21)124)84(77(147-47(14)117)64(162-99)30-138-40(7)110)166-98-90(153-53(20)123)85(78(148-48(15)118)63(161-98)29-137-39(6)109)167-100-93(156-56(23)126)87(170-102(134)135)79(149-49(16)119)65(163-100)31-139-41(8)111/h58-93,95-100,103,127-129H,24-33H2,1-23H3,(H,130,131)(H,132,133)(H,134,135)/t59-,60?,61-,62-,63-,64-,65-,66-,67-,69?,70+,71-,72+,73-,74-,75-,76-,77-,78-,79-,80-,81?,82+,83+,84+,85+,86+,87+,88+,89-,90-,91-,92-,93-,95-,96-,97+,98+,99+,100+/m1/s1

InChIKey

MTWNQMHWLWHXGH-XEUPFTBBSA-N

Smiles

CC(=O)C(CC([C@H]([C@@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C)C(C3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)C)OC(=O)C)OC(=O)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)O)OC(=O)C)C(C(=O)C)C(=O)C)OC(=O)C)C(=O)C