5-[(1S,2R,4aR)-5-(Hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoic acid

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Systematic / IUPAC Name: 5-[(1S,2R,4aR)-5-(Hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid

ID: Reference7885

Other Names: 1-Naphthalenepentanoic acid, 1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-β,1,2,4a-tetramethyl-, (1S,2R,4aR)-

Formula: C20H34O3

Spectral Data

5-[(1S,2R,4aR)-5-(Hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoic 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 3
No. of Spectra 3498
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/2/2018 12:51:34 PM
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Identificators

InChI InChI=1S/C20H34O3/c1-14(12-18(22)23)8-10-19(3)15(2)9-11-20(4)16(13-21)6-5-7-17(19)20/h6,14-15,17,21H,5,7-13H2,1-4H3,(H,22,23)/t14?,15-,17?,19+,20+/m1/s1
InChI Key FVXAJZRADGVLQM-FVUCEDHYSA-N
Canonical SMILES CC1CCC2(C(C1(C)CCC(C)CC(=O)O)CCC=C2CO)C
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Other Names 1-Naphthalenepentanoic acid, 1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-β,1,2,4a-tetramethyl-, (1S,2R,4aR)-

In Other Databases

PubChem 23757200
ChemSpider 22913051