Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bruceanic acid A
RN: 53663-07-3
InChIKey: GMBHZYMAWUHATG-ZQHPDZAGSA-N

Note

  • From Brucea antidysenterica.

Molecular Weight

  • 552.569
 
* 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

  • Bruceanic acid A

Systematic Name

  • 3,10-Ethano-1H,8H-furo(3,4-d)(1)benzopyran-9-acetic acid, 8-acetyl-4-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)octahydro-11,12-dihydroxy-3-(methoxycarbonyl)-9-methyl-5-oxo-, (3S-(3alpha,3aalpha,4alpha(E),6aalpha,8alpha,9beta,10alpha,10aS*,11S*,12R*))-

Registry Numbers

CAS Registry Number

  • 53663-07-3

System Generated Number

  • 0053663073

Structure Descriptors

InChI

1S/C27H36O12/c1-11(2)12(3)7-18(30)39-21-22-26-10-37-27(22,25(34)36-6)23(32)20(31)19(26)15(9-17(29)35-5)14(13(4)28)8-16(26)38-24(21)33/h7,11,14-16,19-23,31-32H,8-10H2,1-6H3/b12-7+/t14-,15-,16+,20-,21+,22+,23+,27-/m0/s1

InChIKey

GMBHZYMAWUHATG-ZQHPDZAGSA-N

Smiles

C1([C@@H]([C@@H]2[C@@]=34[C@H](O1)C[C@H]([C@@H]([C@@H]3[C@@H]([C@H]([C@@]2(OC4)C(=O)OC)O)O)CC(=O)OC)C(=O)C)OC(\C=C(\C(C)C)C)=O)=O