Systematic / IUPAC Name: (7E,13E)-11,12-Dihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12-octahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione
ID: Reference7919
Other Names: 1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E,13E)-
Formula: C24H35NO4
(7E,13E)-11,12-Dihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12-octahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 162 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 5/10/2018 11:53:57 AM |
InChI | InChI=1S/C24H35NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8+,14-11+ |
InChI Key | GCIKKGSNXSCKCP-HUKVCQRGSA-N |
Canonical SMILES | CC1C2C(NC(=O)C23C(C=C(CCC(C(C=CC3=O)O)O)C)C=C1C)CC(C)C |
CAS | |
Splash | |
Other Names | 1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E,13E)- |
PubChem | 14286542 |
ChemSpider | 22369672 |
ChEMBL | CHEMBL1981103 |