9,9b-Dihydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate

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Systematic / IUPAC Name: 9,9b-Dihydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate

ID: Reference7941

Other Names: Hexanoic acid, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester

Formula: C21H32O6

Spectral Data

9,9b-Dihydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate 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 161
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/14/2018 10:29:37 AM
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Identificators

InChI InChI=1S/C21H32O6/c1-5-6-7-8-16(23)27-14-11-13-12-26-18(24)21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17,22,25H,5-10,12H2,1-4H3
InChI Key AKSMCYXVBDZJRK-UHFFFAOYSA-N
Canonical SMILES CCCCCC(=O)OC1C=C2COC(=O)C2(C3(C1C(CCC3O)(C)C)C)O
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Other Names Hexanoic acid, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl ester

In Other Databases

PubChem 45359480
ChemSpider 22369957