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Substance Name: Cucumarioside C2
RN: 114129-89-4
InChIKey: CGCFPNINLAZUDH-GZTJUZNOSA-N

Molecular Formula

  • C60-H92-O26

Molecular Weight

  • 1229.36
 
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Names and Synonyms

Results Name

  • Cucumarioside C2

Synonym

  • Cucumarioside C2

Systematic Name

  • Lanosta-7,22,24-trien-18-oic acid, 16-(acetyloxy)-20-hydroxy-3-((O-3-O-methyl-beta-D-xylopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-(beta-D-xylopyranosyl-(1-2))-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta,16beta,22E)-

Registry Numbers

CAS Registry Number

  • 114129-89-4

System Generated Number

  • 0114129894

Structure Descriptors

InChI

1S/C60H92O26/c1-25(2)12-11-17-59(9)49-33(79-27(4)62)20-58(8)29-13-14-35-56(5,6)36(16-18-57(35,7)28(29)15-19-60(49,58)55(73)86-59)81-53-47(38(67)31(64)23-77-53)85-54-48(84-50-40(69)37(66)30(63)22-75-50)41(70)44(26(3)78-54)82-52-43(72)46(39(68)34(21-61)80-52)83-51-42(71)45(74-10)32(65)24-76-51/h11-13,17,26,28,30-54,61,63-72H,14-16,18-24H2,1-10H3/b17-11+

InChIKey

CGCFPNINLAZUDH-GZTJUZNOSA-N

Smiles

O[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O[C@@H]2OC[C@@H]([C@@H]([C@@H]2O)OC)O)O)C)O[C@@H]2[C@@H](OC[C@@H](O)[C@@H]2O)O[C@@H]2CC[C@@]3([C@@H]4CC[C@@]56[C@@](C4=CC[C@@H]3C2(C)C)(C)C[C@@H]([C@@H]5[C@@](OC6=O)(C)\C=C\C=C(\C)C)OC(C)=O)C)[C@@H](O)[C@@H]1O