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Substance Name: GPI0100
RN: 328056-98-0
InChIKey: NKVLDFAVEWLOCX-GUSKIFEASA-N

Note

  • quillaja saponin semi-synthetic analog; a systemic and mucosal adjuvant, has potential use in the development of vaccines against periodontal, as well as other pathogens

Molecular Formula

  • Unspecified

Molecular Weight

  • 1680.9137
 
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Names and Synonyms

Name of Substance

  • GPI0100

Synonym

  • GPI-0100

Systematic Name

  • GPI 0100

Registry Numbers

CAS Registry Number

  • 328056-98-0

System Generated Number

  • 0328056980

Structure Descriptors

InChI

1S/C81H133NO35/c1-10-11-12-13-14-15-16-17-18-19-28-82-66(101)62-57(98)61(113-67-54(95)49(90)41(86)32-104-67)64(116-70-55(96)51(92)50(91)43(31-83)109-70)72(114-62)110-47-23-24-76(6)44(77(47,7)34-84)22-25-78(8)45(76)21-20-39-40-29-75(4,5)26-27-81(40,46(88)30-79(39,78)9)74(102)117-71-63(52(93)48(89)37(2)107-71)115-69-56(97)53(94)59(38(3)108-69)111-68-58(99)60(42(87)33-105-68)112-73-65(100)80(103,35-85)36-106-73/h20,34,37-38,40-65,67-73,83,85-100,103H,10-19,21-33,35-36H2,1-9H3,(H,82,101)/t37-,38+,40?,41-,42-,43-,44?,45?,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57+,58-,59+,60+,61+,62+,63-,64-,65+,67+,68+,69+,70+,71+,72-,73+,76+,77+,78-,79-,80-,81-/m1/s1

InChIKey

NKVLDFAVEWLOCX-GUSKIFEASA-N

Smiles

[C@]12(C(=O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)O)O)O[C@H]3[C@@H]([C@@H]([C@@H](O[C@H]4[C@@H]([C@@H](O[C@H]5[C@@H]([C@@](CO5)(O)CO)O)[C@@H](CO4)O)O)[C@@H](O3)C)O)O)C(C3=CCC4[C@]([C@@]3(C[C@H]1O)C)(CCC1[C@@]4(CC[C@@H]([C@]1(C=O)C)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)NCCCCCCCCCCCC)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)CC(CC2)(C)C