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(3R*,5S*,6S*,7S*)-6,8-Dihydroxy-6,8-O-isopropylidene-3,5,7-trimethyl-1-phenyloct-1-yn-3-ol
SpectraBase Compound ID 2plIZZrtwJt
InChI InChI=1S/C20H28O3/c1-15(18-16(2)14-22-19(3,4)23-18)13-20(5,21)12-11-17-9-7-6-8-10-17/h6-10,15-16,18,21H,13-14H2,1-5H3/t15-,16-,18-,20-/m0/s1
InChIKey DNMRTEKODHVBOQ-DUPRYPCISA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcZZSwMf8J0
Name (3R*,5S*,6S*,7S*)-6,8-Dihydroxy-6,8-O-isopropylidene-3,5,7-trimethyl-1-phenyloct-1-yn-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-15(18-16(2)14-22-19(3,4)23-18)13-20(5,21)12-11-17-9-7-6-8-10-17/h6-10,15-16,18,21H,13-14H2,1-5H3/t15-,16-,18-,20-/m0/s1
InChIKey DNMRTEKODHVBOQ-DUPRYPCISA-N
Molecular Weight 316.441 g/mol
SMILES O[C@@](C#Cc1ccccc1)(C[C@@]([C@@]1(OC(OC[C@@]1(C)[H])(C)C)[H])(C)[H])C
SPLASH splash10-0a4j-9402000000-c2c0df4154dccf401c35
Source of Spectrum KC-0-2657-18
Synonyms (3R,5S)-3-Methyl-1-phenyl-5-((4S,5S)-2,2,5-trimethyl-[1,3]dioxan-4-yl)-hex-1-yn-3-ol (3R,5S)-3-methyl-1-phenyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-hexyn-3-ol
Wiley ID 825938