4-{[(7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methyl]amino}-4-oxobut-2-enoic acid

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Systematic / IUPAC Name: (2E)-4-(Abieta-8,11,13-trien-18-ylamino)-4-oxo-2-butenoic acid

ID: Reference6812

Other Names: 2-Butenoic acid, 4-({[1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl}amino)-4-oxo-, (2E)-

Formula: C24H33NO3

Spectral Data

4-{[(7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methyl]amino}-4-oxobut-2-enoic acid 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/12/2017 11:13:33 AM
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Identificators

InChI InChI=1S/C24H33NO3/c1-16(2)17-6-8-19-18(14-17)7-9-20-23(3,12-5-13-24(19,20)4)15-25-21(26)10-11-22(27)28/h6,8,10-11,14,16,20H,5,7,9,12-13,15H2,1-4H3,(H,25,26)(H,27,28)/b11-10+
InChI Key FOVDKVLUIXQBIW-ZHACJKMWSA-N
Canonical SMILES CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC(=O)C=CC(=O)O)C
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Other Names 2-Butenoic acid, 4-({[1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl}amino)-4-oxo-, (2E)-

In Other Databases

PubChem 5931618
ChemSpider 4753614