Congmunoside X

CAS Registry Number®

344911-90-6
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CAS Name

Congmunoside X

Molecular Formula

C60H98O28

Molecular Mass

1267.40

Cite this Page

Congmunoside X.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=344911-90-6 (retrieved 2024-06-23) (CAS RN: 344911-90-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H98O28/c1-55(2)14-16-60(54(78)88-51-44(76)41(73)36(68)28(21-63)81-51)17-15-58(6)24(25(60)18-55)8-9-32-57(5)12-11-33(56(3,4)31(57)10-13-59(32,58)7)84-53-48(87-50-43(75)40(72)35(67)27(20-62)80-50)47(38(70)30(23-65)83-53)86-52-45(77)46(37(69)29(22-64)82-52)85-49-42(74)39(71)34(66)26(19-61)79-49/h8,25-53,61-77H,9-23H2,1-7H3/t25-,26+,27+,28+,29+,30+,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-,47-,48+,49-,50-,51-,52-,53-,57-,58+,59+,60-/m0/s1

InChIKey

InChIKey=WMSZDXQCLFUBAQ-FJNJJAFCSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@H]9[C@H](O)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@@H](CO)O9)[C@H](O)[C@@H](CO)O7)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C7OC%10OC(CO)C(O)C(O)C%10O)C(C)(C)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]-, β-D-glucopyranosyl ester, (3β)-
  • Congmunoside X
  • Araloside X

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