Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Tubeimoside III
RN: 115810-13-4
InChIKey: MTICHQXHYUJVDV-UHFFFAOYSA-N

Note

  • Isolated from Bolbostemma paniculatum.

Molecular Formula

  • C64-H100-O31

Molecular Weight

  • 1365.46
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Tubeimoside III

Synonym

  • (2beta,3beta(S),4alpha,16alpha)-28-(O-beta-D-Xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxyolean-12-en-28-oate

Systematic Name

  • Olean-12-en-28-oic acid, 3-((2-O-(6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2,16,23-trihydroxy-, 28-(O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) ester, intramol. ester, (2beta,3beta(S),4alpha,16alpha)-

Registry Numbers

CAS Registry Number

  • 115810-13-4

System Generated Number

  • 0115810134

Structure Descriptors

InChI

1S/C64H100O31/c1-25-47-48(91-52-44(79)38(73)29(68)21-85-52)46(81)54(87-25)92-49-39(74)30(69)22-86-55(49)95-57(82)64-14-13-58(2,3)15-27(64)26-9-10-34-60(5)16-28(67)51(61(6,24-66)33(60)11-12-62(34,7)63(26,8)17-35(64)70)94-56-50(43(78)40(75)31(20-65)88-56)93-53-45(80)42(77)41(76)32(89-53)23-84-36(71)18-59(4,83)19-37(72)90-47/h9,25,27-35,38-56,65-70,73-81,83H,10-24H2,1-8H3

InChIKey

MTICHQXHYUJVDV-UHFFFAOYSA-N

Smiles

C1[C@@](CC(OC[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O[C@@H]2[C@@H]([C@@H]([C@@H](CO)O[C@@H]2O[C@@H]2[C@@]([C@@H]3[C@@](C[C@@H]2O)([C@@H]2[C@@](CC3)([C@@]3(C(=CC2)[C@@H]2[C@@]([C@@H](C3)O)(CCC(C2)(C)C)C(O[C@@H]2OC[C@@H]([C@@H](O)[C@@H]2O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3OC[C@@H]([C@@H]([C@@H]3O)O)O)[C@@H](OC1=O)[C@@H](O2)C)O)=O)C)C)C)(CO)C)O)O)O)O)O)=O)(C)O