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Substance Name: Stimulon
RN: 141256-04-4
UNII: 3LHL0S9KBM
InChIKey: DRHZYJAUECRAJM-DWSYSWFDSA-N

Classification Codes

  • Adjuvants, Immunologic
  • Immunologic Factors

Molecular Formula

  • C92-H148-O46

Molecular Weight

  • 1990.1352
 
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Names and Synonyms

Name of Substance

  • Saponin QA-21V1
  • Stimulon

Synonyms

  • QA 21
  • QA 21V1
  • QS 21
  • QS-21
  • QS21
  • Stimulon
  • UNII-3LHL0S9KBM

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha)-28-((O-D-apio-beta-D-furanosyl-(1-3)-O-beta-D-xylofuranosyl-(1-6)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-3-O-(5-((5-(alpha-L-arabinofuranosloxy)-3-hydroxy-6-methyl-1-oxooctyl)oxy)-3-hydroxy-6-methyl-1-oxooctyl)-6-deoxy-beta-D-galactopyranosyl)oxy)-16-hydroxy-23,28-dioxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-

Registry Numbers

CAS Registry Number

  • 141256-04-4

FDA UNII

  • 3LHL0S9KBM

Other Registry Numbers

  • 154335-26-9
  • 170966-64-0
  • 250643-58-4

System Generated Number

  • 0141256044

Structure Descriptors

InChI

InChI=1S/C92H148O46/c1-13-36(3)46(126-54(102)25-41(98)24-47(37(4)14-2)127-80-62(110)58(106)49(30-94)128-80)23-40(97)26-55(103)131-69-39(6)125-82(73(65(69)113)136-79-64(112)60(108)68(38(5)124-79)132-78-67(115)70(45(100)32-122-78)133-84-75(116)91(120,34-96)35-123-84)138-85(119)92-22-21-86(7,8)27-43(92)42-15-16-51-87(9)19-18-53(88(10,33-95)50(87)17-20-89(51,11)90(42,12)28-52(92)101)130-83-74(137-81-63(111)59(107)57(105)48(29-93)129-81)71(66(114)72(135-83)76(117)118)134-77-61(109)56(104)44(99)31-121-77/h15,33,36-41,43-53,56-75,77-84,93-94,96-101,104-116,120H,13-14,16-32,34-35H2,1-12H3,(H,117,118)/t36-,37-,38-,39+,40-,41-,43-,44+,45+,46-,47-,48+,49-,50+,51+,52+,53-,56-,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67+,68-,69-,70-,71-,72-,73+,74+,75-,77-,78-,79-,80+,81-,82-,83+,84-,87-,88-,89+,90+,91+,92+/m0/s1

InChIKey

DRHZYJAUECRAJM-DWSYSWFDSA-N

Smiles

CC[C@H](C)[C@H](C[C@H](O)CC(=O)O[C@@H](C[C@H](O)CC(=O)O[C@H]1[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C4=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)C(=O)O)[C@@](C)(C=O)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@H]3O)[C@H](O[C@@H]%10O[C@@H](C)[C@H](O[C@@H]%11OC[C@@H](O)[C@H](O[C@@H]%12OC[C@](O)(CO)[C@H]%12O)[C@H]%11O)[C@@H](O)[C@H]%10O)[C@H]1O)[C@@H](C)CC)O[C@@H]%13O[C@@H](CO)[C@H](O)[C@H]%13O