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(2.alpha.,4a.alpha.,5.alpha.,8a.beta.)-(+-)-Decahydro-8-(1-methoxymethylene)-.alpha.,alpha.,4a-trimethyl-5-[(methylsulfonyl)oxy]-2-naphthalenemethanol

View entire compound with spectra: 2 MS (GC)

(2.alpha.,4a.alpha.,5.alpha.,8a.beta.)-(+-)-Decahydro-8-(1-methoxymethylene)-.alpha.,alpha.,4a-trimethyl-5-[(methylsulfonyl)oxy]-2-naphthalenemethanol
SpectraBase Compound ID EnrJje9Ummk
InChI InChI=1S/C17H30O5S/c1-16(2,18)13-8-9-17(3)14(10-13)12(11-21-4)6-7-15(17)22-23(5,19)20/h11,13-15,18H,6-10H2,1-5H3/b12-11+/t13-,14+,15-,17-/m0/s1
InChIKey QCJJKQYNWUQVIM-POVIABQYSA-N
Mol Weight 346.48 g/mol
Molecular Formula C17H30O5S
Exact Mass 346.181395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tbWHBUSvvw
Name (2.alpha.,4a.alpha.,5.alpha.,8a.beta.)-(+-)-Decahydro-8-(1-methoxymethylene)-.alpha.,alpha.,4a-trimethyl-5-[(methylsulfonyl)oxy]-2-naphthalenemethanol
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1339111 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O5S
InChI InChI=1S/C17H30O5S/c1-16(2,18)13-8-9-17(3)14(10-13)12(11-21-4)6-7-15(17)22-23(5,19)20/h11,13-15,18H,6-10H2,1-5H3/b12-11+/t13-,14+,15-,17-/m0/s1
InChIKey QCJJKQYNWUQVIM-POVIABQYSA-N
Molecular Weight 346.482 g/mol
SMILES OC([C@]1(CC[C@@]2([C@@](OS(=O)(=O)C)(CC\C(=C/OC)[C@]2(C1)[H])[H])C)[H])(C)C
SPLASH splash10-0w29-0390000000-deaedae8f5f0a491f242
Source of Spectrum J-62-7345-31
Synonyms (1S,4E,4aR,6S,8aS)-6-(1-hydroxy-1-methylethyl)-4-(methoxymethylene)-8a-methyldecahydro-1-naphthalenyl methanesulfonate
Wiley ID 1821231