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Substance Name: Cucumarioside H
RN: 116524-58-4
InChIKey: XPXZTNUAIBRUOQ-GZTJUZNOSA-N

Molecular Formula

  • C60-H92-O29-S

Molecular Weight

  • 1309.42
 
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Names and Synonyms

Results Name

  • Cucumarioside H

Synonym

  • Cucumarioside H

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)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta,16beta,22E)-

Registry Numbers

CAS Registry Number

  • 116524-58-4

System Generated Number

  • 0116524584

Structure Descriptors

InChI

1S/C60H92O29S/c1-25(2)12-11-17-59(9)49-32(81-27(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(72)88-59)83-53-47(39(67)34(24-79-53)89-90(73,74)75)87-54-48(86-50-40(68)37(65)30(63)22-77-50)41(69)44(26(3)80-54)84-52-43(71)46(38(66)33(21-61)82-52)85-51-42(70)45(76-10)31(64)23-78-51/h11-13,17,26,28,30-54,61,63-71H,14-16,18-24H2,1-10H3,(H,73,74,75)/b17-11+

InChIKey

XPXZTNUAIBRUOQ-GZTJUZNOSA-N

Smiles

C1[C@@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]1[C@@H]([C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O[C@@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O)O[C@@H]1[C@@H](OC[C@@H](OS(O)(=O)=O)[C@@H]1O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]45[C@@](C3=CC[C@@H]2C1(C)C)(C)C[C@@H](OC(C)=O)[C@@H]4[C@@](OC5=O)(C)\C=C\C=C(\C)C)C)C)O)O)OC)O