Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ajugachin B
RN: 131086-65-2
InChIKey: HDHVWHCGGUJHQA-VRBSUYBLSA-N

Molecular Formula

  • C31-H44-O12

Molecular Weight

  • 608.677
 
* 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

  • Ajugachin B

Synonyms

  • (-)-Ajugachin B
  • Ajugachin B

Systematic Names

  • Butanedioic acid, 2,3-dimethyl-, (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-3-hydroxy-5,6-dimethyl-5-((2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro(2,3-b)furan-2-yl)spiro(naphthalene-1(2H),2'-oxiran)-2-yl methyl ester
  • Butanedioic acid, 2,3-dimethyl-, 8-(acetyloxy)-8a-((acetyloxy)methyl)octahydro-3-hydroxy-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro(2,3-b)furan-2-yl)spiro(naphthalene-1(2H),2'-oxiran)-2-yl methyl ester, (1R-(1alpha,2beta,3alpha,4abeta,5beta(2S*,3aS*,6aS*),6alpha,8alpha,8aalpha))-(partial)-

Registry Numbers

CAS Registry Number

  • 131086-65-2

System Generated Number

  • 0131086652

Structure Descriptors

InChI

1S/C31H44O12/c1-16-12-24(41-19(4)33)30(14-39-18(3)32)21(28(16,5)23-13-20-10-11-38-26(20)42-23)8-9-22(31(30)15-40-31)43-27(35)29(6,36)17(2)25(34)37-7/h10-11,16-17,20-24,26,36H,8-9,12-15H2,1-7H3/t16-,17-,20-,21-,22?,23?,24+,26+,28+,29-,30+,31?/m1/s1

InChIKey

HDHVWHCGGUJHQA-VRBSUYBLSA-N

Smiles

C([C@H]([C@@](C(=O)O[C@@H]1[C@@]2([C@@]3([C@H](C[C@H]([C@@]([C@H]3CC1)([C@@H]1C[C@@H]3[C@H](O1)OC=C3)C)C)OC(=O)C)COC(=O)C)OC2)(C)O)C)(=O)OC