Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Laevigatoside
RN: 96626-38-9
InChIKey: KOXSXCCOHBCVFV-UHFFFAOYSA-M

Molecular Weight

  • 1235.36
 
* 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

  • Laevigatoside

Registry Numbers

CAS Registry Number

  • 96626-38-9

System Generated Number

  • 0096626389

Structure Descriptors

InChI

1S/C56H92O26S.Na/c1-21(2)16-26(57)19-56(9,69)34-11-10-29-28-18-33(31-17-27(83(70,71)72)12-14-54(31,7)30(28)13-15-55(29,34)8)78-51-44(68)46(37(61)24(5)76-51)80-53-48(82-50-42(66)40(64)36(60)23(4)75-50)43(67)45(25(6)77-53)79-52-47(38(62)32(58)20-73-52)81-49-41(65)39(63)35(59)22(3)74-49;/h13,21-25,27-29,31-53,58-69H,10-12,14-20H2,1-9H3,(H,70,71,72);/q;+1/p-1

InChIKey

KOXSXCCOHBCVFV-UHFFFAOYSA-M

Smiles

O([C@@H]1[C@@H](OC[C@@H]([C@@H]1O)O)O[C@@H]1[C@@H](O)[C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H](O[C@@H]3[C@@H]4[C@@](C=5[C@@H](C3)[C@@H]3CC[C@@H]([C@@]3(C)CC5)[C@@](CC(CC(C)C)=O)(C)O)(C)CC[C@@H](S([O-])(=O)=O)C4)O[C@@H]([C@@H]2O)C)O)O[C@@H]1C)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O.[Na+]