Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:14:00 UTC
Update Date2022-08-31 06:26:19 UTC
Metabolite IDMMDBc0006849
Metabolite Identification
Common Name(+)-(10E,15R)-10,11-dehydrocurvularin
Description(R)-10,11-Dehydrocurvularin belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members (R)-10,11-Dehydrocurvularin is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC16H18O5
Average Mass290.315
Monoisotopic Mass290.11542368
IUPAC Name(4R)-11,13-dihydroxy-4-methyl-2,4,5,6,7,10-hexahydro-1H-3-benzoxacyclododecine-2,10-dione
Traditional Name(4R)-11,13-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-3-benzoxacyclododecine-2,10-dione
CAS Registry NumberNot Available
SMILES
[H]\C1=C([H])/C(=O)C2=C(O)C=C(O)C=C2CC(=O)O[C@]([H])(C)CCC1
InChI Identifier
InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+/t10-/m1/s1
InChI KeyAVIRMQMUBGNCKS-DFVUYQKZSA-N