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(3R,6R)-6-[(1S,4S)-4-hydroxy-4-methyl-cyclohex-2-en-1-yl]-2-methyl-heptane-2,3-diol
SpectraBase Compound ID B1Kx8U3dzkk
InChI InChI=1S/C15H28O3/c1-11(5-6-13(16)14(2,3)17)12-7-9-15(4,18)10-8-12/h7,9,11-13,16-18H,5-6,8,10H2,1-4H3/t11-,12+,13-,15-/m1/s1
InChIKey MAEMYNOQGKNVGT-QVHKTLOISA-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 4pSxyVbsUsg
Name (3R,6R)-6-[(1S,4S)-4-hydroxy-4-methyl-cyclohex-2-en-1-yl]-2-methyl-heptane-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O3
InChI InChI=1S/C15H28O3/c1-11(5-6-13(16)14(2,3)17)12-7-9-15(4,18)10-8-12/h7,9,11-13,16-18H,5-6,8,10H2,1-4H3/t11-,12+,13-,15-/m1/s1
InChIKey MAEMYNOQGKNVGT-QVHKTLOISA-N
Instrument Name Agilent Technologies 5973-6890 N
Ionization Type EI
Molecular Weight 256.386 g/mol
Optical Rotation [a]D20 = +26.5 (c = 1.5, CH2Cl2)
SMILES O[C@]1(CC[C@@]([C@@](CC[C@](C(C)(C)O)(O)[H])(C)[H])(C=C1)[H])C
SPLASH splash10-0006-9500000000-19ef72eaa2a05e4c40e1
Source of Spectrum US20140161764A1
Wiley ID 1852531