(3E)-3-(Hydroxymethyl)-2-oxo-5-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-pentenoic acid

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Systematic / IUPAC Name: (E)-5-[(1S,8aS)-5,5,8a-Trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(hydroxymethyl)-2-oxopent-3-enoic acid

ID: Reference7963

Other Names: 3-Pentenoic acid, 5-[(1S,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-(hydroxymethyl)-2-oxo-, (3E)-

Formula: C20H30O4

Spectral Data

(3E)-3-(Hydroxymethyl)-2-oxo-5-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-pentenoic 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 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 5/16/2018 7:38:35 AM
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Identificators

InChI InChI=1S/C20H30O4/c1-13-6-9-16-19(2,3)10-5-11-20(16,4)15(13)8-7-14(12-21)17(22)18(23)24/h7,15-16,21H,1,5-6,8-12H2,2-4H3,(H,23,24)/b14-7+/t15-,16?,20+/m0/s1
InChI Key JATLKGIQGCADFB-ABROWSKNSA-N
Canonical SMILES CC1(CCCC2(C1CCC(=C)C2CC=C(CO)C(=O)C(=O)O)C)C
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Other Names 3-Pentenoic acid, 5-[(1S,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-3-(hydroxymethyl)-2-oxo-, (3E)-

In Other Databases

PubChem 45360361
ChemSpider 22914141