(7E)-11,12,13-Trihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione

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Systematic / IUPAC Name: (7E)-11,12,13-Trihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-1H-cycloundeca[d]isoindole-1,15(2H)-dione

ID: Reference7733

Other Names: 1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12,13,14-decahydro-11,12,13-trihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E)-;
11,12,13-Trihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-1H,2H,3H,3aH,4H,6aH,9H,10H,11H,12H,13H,14H,15H-cycloundeca[e]isoindole-1,15-dione

Formula: C24H37NO5

Spectral Data

(7E)-11,12,13-Trihydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,11,12,13,14-decahydro-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.

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Available MS Data

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 4/9/2018 1:32:27 PM
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Identificators

InChI InChI=1S/C24H37NO5/c1-12(2)8-17-21-15(5)14(4)10-16-9-13(3)6-7-18(26)22(29)19(27)11-20(28)24(16,21)23(30)25-17/h9-10,12,15-19,21-22,26-27,29H,6-8,11H2,1-5H3,(H,25,30)/b13-9+
InChI Key PLGNVFSTPJUFKJ-UKTHLTGXSA-N
Canonical SMILES CC1C2C(NC(=O)C23C(C=C(CCC(C(C(CC3=O)O)O)O)C)C=C1C)CC(C)C
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Other Names 1H-Cycloundec[d]isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12,13,14-decahydro-11,12,13-trihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E)-;
11,12,13-Trihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-1H,2H,3H,3aH,4H,6aH,9H,10H,11H,12H,13H,14H,15H-cycloundeca[e]isoindole-1,15-dione

In Other Databases

ChemSpider 8107529
PubChem 9931899