Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:46:35 UTC
Update Date2022-08-31 06:44:09 UTC
Metabolite IDMMDBc0018596
Metabolite Identification
Common NameTerreulactone A
DescriptionBased on a literature review very few articles have been published on (1R,4R,13S,14R,16S)-13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,19-tetramethyl-5,9,18-trioxapentacyclo[14.2.1.0¹,¹⁴.0⁴,¹³.0⁶,¹¹]nonadeca-6(11),7-diene-10,15,17-trione.
Structure
SynonymsNot Available
Molecular FormulaC28H30O9
Average Mass510.539
Monoisotopic Mass510.188982546
IUPAC Name(1R,4R,13S,14R,16R)-13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,19-tetramethyl-5,9,18-trioxapentacyclo[14.2.1.0^{1,14}.0^{4,13}.0^{6,11}]nonadeca-6(11),7-diene-10,15,17-trione
Traditional Name(1R,4R,13S,14R,16R)-13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,19-tetramethyl-5,9,18-trioxapentacyclo[14.2.1.0^{1,14}.0^{4,13}.0^{6,11}]nonadeca-6(11),7-diene-10,15,17-trione
CAS Registry NumberNot Available
SMILES
COC1=CC=C(C=C1)C1=CC2=C(C[C@]3(O)[C@@]4(C)C(=O)[C@@]5(OC)C(=O)O[C@]4(CC[C@@]3(C)O2)C5(C)C)C(=O)O1
InChI Identifier
InChI=1S/C28H30O9/c1-23(2)27-12-11-24(3)26(32,25(27,4)21(30)28(23,34-6)22(31)37-27)14-17-19(36-24)13-18(35-20(17)29)15-7-9-16(33-5)10-8-15/h7-10,13,32H,11-12,14H2,1-6H3/t24-,25-,26-,27-,28+/m1/s1
InChI KeyAOFMVUCAUSHJLI-FXGKLIOSSA-N