(3S)-5-[(4aR,8aS)-2,5,5,8a-Tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid

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Systematic / IUPAC Name: (3S)-5-[(4aR,8aS)-2,5,5,8a-Tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpentanoic acid

ID: Reference7758

Other Names:

Formula: C20H32O3

Spectral Data

(3S)-5-[(4aR,8aS)-2,5,5,8a-Tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-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 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/11/2018 1:38:34 PM
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Identificators

InChI InChI=1S/C20H32O3/c1-13(11-18(22)23)7-8-15-14(2)16(21)12-17-19(3,4)9-6-10-20(15,17)5/h13,17H,6-12H2,1-5H3,(H,22,23)/t13-,17+,20+/m0/s1
InChI Key BARZJLALPXZLMN-WSXQUGQNSA-N
Canonical SMILES CC1=C(C2(CCCC(C2CC1=O)(C)C)C)CCC(C)CC(=O)O
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In Other Databases

PubChem 26183531