Limonin

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Systematic / IUPAC Name: (4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(3-Furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione

ID: Reference3493

Other Names: Limoni;
Limonoate D-ring-lactone;
Limonoic acid 3,19:16,17 dilactone;
Limonoic acid di-δ-lactone;
(4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione ; more

Formula: C26H30O8

Class: Endogenous Metabolites Natural Products/Medicines Therapeutics/Prescription Drugs

Spectral Data

Limonin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 8421
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/12/2016 9:00:08 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChI Key KBDSLGBFQAGHBE-MSGMIQHVSA-N
Canonical SMILES CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C
CAS 1180718
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Other Names Limoni;
Limonoate D-ring-lactone;
Limonoic acid 3,19:16,17 dilactone;
Limonoic acid di-δ-lactone;
(4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione;
(4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydrooxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromene-3,8,10(1H,6H,8aH)-trione;
di-δ-Lactone limonoic acid

In Other Databases

ChEBI CHEBI:16226
Wikipedia Limonin
KEGG C03514; D00173
PubChem 179651
ChemSpider 156367