5-[2-(3-Furyl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid

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Systematic / IUPAC Name: 5-[2-(Furan-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

ID: Reference7859

Other Names: Hautriwaic acid;
1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-

Formula: C20H28O4

Spectral Data

5-[2-(3-Furyl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic 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 376
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/26/2018 7:52:30 AM
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Identificators

InChI InChI=1S/C20H28O4/c1-14-6-10-20(13-21)16(18(22)23)4-3-5-17(20)19(14,2)9-7-15-8-11-24-12-15/h4,8,11-12,14,17,21H,3,5-7,9-10,13H2,1-2H3,(H,22,23)
InChI Key PHKSUFCCGLWIMC-UHFFFAOYSA-N
Canonical SMILES CC1CCC2(C(C1(C)CCC3=COC=C3)CCC=C2C(=O)O)CO
CAS
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Other Names Hautriwaic acid;
1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-

In Other Databases

ChemSpider 22415936
PubChem 12310371