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[1S-(1-.alpha.,2-.alpha.,4a-.beta.,5-.alpha.,8-.alpha.,8a-.alpha.)]-Octahydro-8-(1-hydroxy-1-methylethyl)-2,5-dimethyl-1,4(2H)-naphthalenediol
SpectraBase Compound ID C4Pe0HKsZjT
InChI InChI=1S/C15H28O3/c1-8-5-6-10(15(3,4)18)13-12(8)11(16)7-9(2)14(13)17/h8-14,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,14-/m0/s1
InChIKey KEFMCQDMYNPAKO-SIOXPIAOSA-N
Mol Weight 256.39 g/mol
Molecular Formula C15H28O3
Exact Mass 256.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8e8XXrHjnzf
Name [1S-(1-.alpha.,2-.alpha.,4a-.beta.,5-.alpha.,8-.alpha.,8a-.alpha.)]-Octahydro-8-(1-hydroxy-1-methylethyl)-2,5-dimethyl-1,4(2H)-naphthalenediol
CAS Registry Number 78804-78-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O3
InChI InChI=1S/C15H28O3/c1-8-5-6-10(15(3,4)18)13-12(8)11(16)7-9(2)14(13)17/h8-14,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,14-/m0/s1
InChIKey KEFMCQDMYNPAKO-SIOXPIAOSA-N
Molecular Weight 256.386 g/mol
SMILES O[C@]1([C@@]2([C@@]([C@]([C@](C1)(C)[H])(O)[H])([C@@](CC[C@@]2(C)[H])(C(O)(C)C)[H])[H])[H])[H]
SPLASH splash10-01rx-3910000000-6380bf4797146d91d9dc
Source of Spectrum J-46-4311-0
Synonyms (1S,2S,4R,4aS,5S,8R,8aR)-8-(1-hydroxy-1-methylethyl)-2,5-dimethyldecahydro-1,4-naphthalenediol
Wiley ID 1259962