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3-Octanone, 8-(6-heneicosyl-2-methyl-1,3-dioxan-4-yl)-4-methyl-, [4R-[4.alpha.(R*),6.beta.]]-
SpectraBase Compound ID IC44YHndWlg
InChI InChI=1S/C35H68O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33-30-34(38-32(4)37-33)29-26-25-27-31(3)35(36)6-2/h31-34H,5-30H2,1-4H3/t31-,32-,33-,34?/m1/s1
InChIKey RVBNKJOUHZWFJP-PWKVLNTCSA-N
Mol Weight 536.9 g/mol
Molecular Formula C35H68O3
Exact Mass 536.516846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMROaad5OF6
Name 3-Octanone, 8-(6-heneicosyl-2-methyl-1,3-dioxan-4-yl)-4-methyl-, [4R-[4.alpha.(R*),6.beta.]]-
CAS Registry Number 56247-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H68O3
InChI InChI=1S/C35H68O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33-30-34(38-32(4)37-33)29-26-25-27-31(3)35(36)6-2/h31-34H,5-30H2,1-4H3/t31-,32-,33-,34?/m1/s1
InChIKey RVBNKJOUHZWFJP-PWKVLNTCSA-N
Molecular Weight 536.926 g/mol
SMILES [C@@]1(O[C@@](CC(O1)CCCC[C@](C(=O)CC)(C)[H])(CCCCCCCCCCCCCCCCCCCCC)[H])(C)[H]
SPLASH splash10-0a4j-9501100000-60bd11d068a5bc9ec2b6
Source of Spectrum T-67-5146-0
Synonyms (4R)-8-[(2R,6R)-6-henicosyl-2-methyl-1,3-dioxan-4-yl]-4-methyl-3-octanone Ethylidenephthiodiolone A
Wiley ID 1404140