Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Hippocaesculin
RN: 105661-18-5
InChIKey: IHWKCPUDXAKERM-HTNOYMQZSA-N

Molecular Formula

  • C40-H62-O8

Molecular Weight

  • 670.922
 
* 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

Results Name

  • Hippocaesculin

Synonyms

  • (+)-Hippocaesculin
  • Hippocaesculin

Systematic Name

  • Olean-12-ene-3,15,16,21,22,28-hexol, 21,22-bis(2-methyl-2-butenoate), (3beta15alpha,16alpha,21beta,22alpha)-

Registry Numbers

CAS Registry Number

  • 105661-18-5

System Generated Number

  • 0105661185

Structure Descriptors

InChI

1S/C40H62O8/c1-23(2)13-19-39(47)33(4,5)21-26-25-11-12-28-35(8)17-16-29(42)34(6,7)27(35)15-18-36(28,9)37(25,10)30(43)31(44)38(26,22-41)40(39,48)20-14-24(3)32(45)46/h11,13-14,16,26-28,30-31,41-44,47-48H,12,15,17-22H2,1-10H3,(H,45,46)/b24-14+/t26-,27?,28-,30+,31-,35+,36-,37+,38+,39-,40?/m1/s1

InChIKey

IHWKCPUDXAKERM-HTNOYMQZSA-N

Smiles

C1=[C@@](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)[C@H]([C@H]([C@@]5(CO)[C@@]([C@@](C(C)(C)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)(O)C\C=C(\C)C)(O)C\C=C(\C(=O)O)C)O)O)O