(5aS,9S,9aR)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate

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Systematic / IUPAC Name: (5aS,9S,9aR)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate

ID: Reference7636

Other Names: Valine, N-acetyl, (5aS,9S,9aR)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester

Formula: C22H33NO6

Spectral Data

(5aS,9S,9aR)-9b-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate 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 3/26/2018 12:35:40 PM
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Identificators

InChI InChI=1S/C22H33NO6/c1-12(2)17(23-13(3)24)19(26)29-16-9-10-20(4,5)15-8-7-14-18(25)28-11-22(14,27)21(15,16)6/h7,12,15-17,27H,8-11H2,1-6H3,(H,23,24)/t15-,16-,17?,21+,22?/m0/s1
InChI Key DFGYGTWTXGTQIC-GGCVLVMGSA-N
Canonical SMILES CC(C)C(C(=O)OC1CCC(C2C1(C3(COC(=O)C3=CC2)O)C)(C)C)NC(=O)C
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Other Names Valine, N-acetyl, (5aS,9S,9aR)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester

In Other Databases

ChemSpider 29814038
PubChem 24096389