3-Methyl-5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]pentanoic acid

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Systematic / IUPAC Name: 3-Methyl-5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]pentanoic acid

ID: Reference7518

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

Formula: C20H32O3

Spectral Data

3-Methyl-5-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]pentanoic 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
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/12/2018 2:09:27 PM
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Identificators

InChI InChI=1S/C20H32O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h11,13-14,17H,6-10,12H2,1-5H3,(H,22,23)/t13?,14-,17?,19+,20+/m1/s1
InChI Key RNWHJFUXZQBBLK-VWJHISDNSA-N
Canonical SMILES CC1CCC2(C(C1(C)CCC(C)CC(=O)O)CC(=O)C=C2C)C
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Other Names 1-Naphthalenepentanoic acid, 1,2,3,4,4a,7,8,8a-octahydro-β,1,2,4a,5-pentamethyl-7-oxo-, (1S,2R,4aR)-

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