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

ID: Reference7999

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

Formula: C25H39NO4

Spectral Data

(7E)-12-Hydroxy-3-isobutyl-13-methoxy-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
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/24/2018 11:22:32 AM
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Identificators

InChI InChI=1S/C25H39NO4/c1-14(2)10-19-23-17(5)16(4)12-18-11-15(3)8-7-9-20(27)21(30-6)13-22(28)25(18,23)24(29)26-19/h11-12,14,17-21,23,27H,7-10,13H2,1-6H3,(H,26,29)/b15-11+
InChI Key BEHHXVQQPLISNN-RVDMUPIBSA-N
Canonical SMILES CC1C2C(NC(=O)C23C(C=C(CCCC(C(CC3=O)OC)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-12-hydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (7E)-;
12-Hydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-2H,3H,3AH,4H,6AH,9H,10H,11H,12H,13H,14H-cycloundeca[E]isoindole-1,15-dione

In Other Databases

ChemSpider 29814123
PubChem 71694408