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(1R,3S,5R,8S)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-ol
SpectraBase Compound ID 48KHrMYnACe
InChI InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12,14,16H,1,5-8H2,2-4H3/t10-,11-,12+,14+/m0/s1
InChIKey PYNOUJREBZBBTE-CIQGVGRVSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5N6fZLHRpXa
Name (1R,3S,5R,8S)-3,8-Dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,5,6,7,8-octahydroazulen-1-ol
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O
InChI InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12,14,16H,1,5-8H2,2-4H3/t10-,11-,12+,14+/m0/s1
InChIKey PYNOUJREBZBBTE-CIQGVGRVSA-N
Instrument Name Agilent Technologies 6890-5973N
Ionization Type EI
Literature Reference DOI 10.1021/np500819f
Molecular Weight 220.356 g/mol
SMILES O[C@]1(C2=C(C[C@@](CC[C@@]2(C)[H])(C(=C)C)[H])[C@](C1)(C)[H])[H]
SPLASH splash10-0901-4900000000-bd9062f48b88904412b3
Source of Spectrum G4-78-140-7a
Synonyms (2R)-Rotundol
Wiley ID 1865827