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1(2H)-Naphthalenone, octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-, [4aR-(4a.alpha.,5.alpha.,6.alpha.,8a.beta.)]-
SpectraBase Compound ID 5wfIwxRp1HP
InChI InChI=1S/C12H20O3/c1-12-6-5-10(14)8(7-13)9(12)3-2-4-11(12)15/h8-10,13-14H,2-7H2,1H3/t8-,9-,10+,12-/m1/s1
InChIKey CXAMUENCJHJOIJ-MWGHHZFTSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BZWC0jXdnn
Name 1(2H)-Naphthalenone, octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-, [4aR-(4a.alpha.,5.alpha.,6.alpha.,8a.beta.)]-
CAS Registry Number 117439-22-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-12-6-5-10(14)8(7-13)9(12)3-2-4-11(12)15/h8-10,13-14H,2-7H2,1H3/t8-,9-,10+,12-/m1/s1
InChIKey CXAMUENCJHJOIJ-MWGHHZFTSA-N
Molecular Weight 212.289 g/mol
SMILES OC[C@@]1([C@@]2([C@@](CC[C@@]1(O)[H])(C(CCC2)=O)C)[H])[H]
SPLASH splash10-01ox-7960000000-1b85cce5cf1b9035d653
Source of Spectrum C-110-8486-9
Synonyms (4aR,5S,6S,8aR)-(+)-3,4,4a,5,6,7,8,8a-octahydro-6-hydro-5-(hydroxymethyl)-8a-methyl-1(2H)-naphthalenone (4aR,5S,6S,8aR)-6-hydroxy-5-(hydroxymethyl)-8a-methyloctahydro-1(2H)-naphthalenone
Wiley ID 1211496