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(1R,4S)-1-[(1S)-1,5-dimethylhex-4-enyl]-4,7-dimethyl-tetralin-6-ol
SpectraBase Compound ID KjTD5ViWgSe
InChI InChI=1S/C20H30O/c1-13(2)7-6-8-14(3)17-10-9-15(4)18-12-20(21)16(5)11-19(17)18/h7,11-12,14-15,17,21H,6,8-10H2,1-5H3/t14-,15-,17+/m0/s1
InChIKey HWRNTAPYVJUXEL-YQQAZPJKSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHfCZtjlezu
Name (5R,8S)-3,8-Dimethyl-5-((S)-6-methylhept-5-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
Appearance Slightly yellow highly viscous oil
Carrier Gas Hydrogen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.229665585 u
Formula C20H30O
GC Oven Program Oven temp 300 oC
InChI InChI=1S/C20H30O/c1-13(2)7-6-8-14(3)17-10-9-15(4)18-12-20(21)16(5)11-19(17)18/h7,11-12,14-15,17,21H,6,8-10H2,1-5H3/t14-,15-,17+/m0/s1
InChIKey HWRNTAPYVJUXEL-YQQAZPJKSA-N
Instrument Name Agilent GC6890-HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200058
Molecular Weight 286.459 g/mol
Optical Rotation [a]D20 = 225.1 (365 nm), 37.7 (436 nm), 29.6 (546 nm), 27.0 (579 nm), 26.1 (589 nm) (1.0 g/100 ml in CHCl3)
Quality 239
SMILES OC1=CC2=C(C=C1C)[C@](CC[C@@]2(C)[H])([C@@](C)(CCC=C(C)C)[H])[H]
SPLASH splash10-004i-1920000000-244cb862f5a4fe10a88c
Sample Comments (+)-7-Hydroxyerogorgiaen
Source of Spectrum K1-2022-SM35-4b (DOI: 10.1002/ejoc.202200058)
Thin-Layer Chromatography 0.4 (SiO2, cHex/EtOAc, 5:1)
Wiley ID 1898695