Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Roxbin B
RN: 109742-46-3
InChIKey: ACMCMQPOKYONNT-UHFFFAOYSA-N

Note

  • From Rosa roxburghii.

Molecular Formula

  • C41-H28-O26

Molecular Weight

  • 936.646
 
* 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

  • Roxbin B

Systematic Name

  • beta-D-Glucopyranose, cyclic 1,2:4,6-bis(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 3-(3,4,5-trihydroxybenzoate), (1(S),4(S))-

Registry Numbers

CAS Registry Number

  • 109742-46-3

System Generated Number

  • 0109742463

Structure Descriptors

InChI

1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)65-34-33-19(7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54)63-41-35(34)66-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)67-41)6-18(47)28(52)32(23)56/h1-6,19,33-35,41-56H,7H2

InChIKey

ACMCMQPOKYONNT-UHFFFAOYSA-N

Smiles

c1(c(c(c2c(C(O[C@@H]3[C@@H](COC(=O)c4c2c(c(c(c4)O)O)O)O[C@@H]2[C@@H](OC(c4c(c(c(c(O)c4)O)O)c4c(c(c(cc4C(O2)=O)O)O)O)=O)[C@@H]3OC(=O)c2cc(c(c(c2)O)O)O)=O)c1)O)O)O