5alpha-Stigmastan-3,6-dione (BioDeep_00000227688)

   

human metabolite


Metabolite Card


(2R,7S,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,8-dione

  Formula: C29H48O2 (428.3654)
Chinese Names:
  Spectrum Hits: Top Source () 0%

Molecular Structure

SMILES: [H][C@]12CC(=O)CC[C@]1(C)C1CC[C@]3(C)C(CCC3C1CC2=O)[C@H](C)CC[C@@H](CC)C(C)C
InChI: InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22?,23?,24?,25?,26-,28-,29-/m1/s1


Description

5alpha-stigmastan-3,6-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5alpha-stigmastan-3,6-dione can be found in date, which makes 5alpha-stigmastan-3,6-dione a potential biomarker for the consumption of this food product.

Synonyms

4 synonym names

(2R,7S,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,8-dione; 5alpha-Stigmastan-3,6-dione; 5a-Stigmastan-3,6-dione; 5Α-stigmastan-3,6-dione



Cross Reference

2 cross reference id

Classification Terms

Related Pathways

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Biological Process

0 related biological process reactions.

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INOH(0)

PlantCyc(0)

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1 organism taxonomy source information

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Sub-cellular location Genes


Literature Reference