9b-Hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxododecahydronaphtho[1,2-c]furan-5-yl benzoate

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Systematic / IUPAC Name: [9b-Hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxo-1,3a,4,5,5a,7,8,9-octahydrobenzo[E][2]benzofuran-5-yl] benzoate

ID: Reference7998

Other Names: Naphtho[1,2-c]furan-3(1H)-one, 5-(benzoyloxy)decahydro-9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-

Formula: C22H28O6

Spectral Data

9b-Hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxododecahydronaphtho[1,2-c]furan-5-yl benzoate 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 5/24/2018 8:40:03 AM
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Identificators

InChI InChI=1S/C22H28O6/c1-20(12-23)9-6-10-21(2)17(20)16(11-15-19(25)27-13-22(15,21)26)28-18(24)14-7-4-3-5-8-14/h3-5,7-8,15-17,23,26H,6,9-13H2,1-2H3
InChI Key CMIGVNMYXBHBKY-UHFFFAOYSA-N
Canonical SMILES CC1(CCCC2(C1C(CC3C2(COC3=O)O)OC(=O)C4=CC=CC=C4)C)CO
CAS
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Other Names Naphtho[1,2-c]furan-3(1H)-one, 5-(benzoyloxy)decahydro-9b-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-

In Other Databases

ChemSpider 22369783
PubChem 44715327