Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate
RN: 151589-16-1
InChIKey: YQRRHFLZNMAPGC-RYLBHAIISA-N

Molecular Formula

  • C39-H60-O14-S

Molecular Weight

  • 784.955
 
* 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

  • 1-O-(2',3'-Diacetylfucopyranosyl-(4'-sulfate))-5-spirostan-1-ol 3-acetate

Synonyms

  • 1-O-2AcFS-Ssoa
  • Brisbagenin fucoside-4-(hydrogen sulfate) triacetate

Systematic Name

  • beta-L-Galactopyranoside, (1beta,3beta,5alpha,25R)-3-(acetyloxy)spirostan-1-yl 6-deoxy-, 2,3-diacetate 4-(hydrogen sulfate)

Registry Numbers

CAS Registry Number

  • 151589-16-1

System Generated Number

  • 0151589161

Structure Descriptors

InChI

1S/C39H60O14S/c1-19-11-14-39(46-18-19)20(2)32-30(52-39)17-29-27-10-9-25-15-26(48-22(4)40)16-31(38(25,8)28(27)12-13-37(29,32)7)51-36-35(50-24(6)42)34(49-23(5)41)33(21(3)47-36)53-54(43,44)45/h19-21,25-36H,9-18H2,1-8H3,(H,43,44,45)/t19-,20-,21-,25-,26+,27+,28-,29-,30?,31+,32-,33+,34?,35-,36+,37-,38-,39?/m0/s1

InChIKey

YQRRHFLZNMAPGC-RYLBHAIISA-N

Smiles

O([C@@H]1[C@@H](O[C@@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@H]1[C@@]2([C@@H]3[C@H]([C@H]4[C@@]([C@@H]5[C@@H](C4)O[C@@]4([C@H]5C)CC[C@@H](CO4)C)(CC3)C)CC[C@H]2C[C@H](OC(C)=O)C1)C)C)S(=O)(=O)O