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(1R,8R,9R,11S,12S)-8-methoxy-11-[[(1R,8R,9R,11S,12S)-8-methoxy-12-(methoxymethyl)-10-oxabicyclo[7.2.1]dodecan-11-yl]oxy]-12-(methoxymethyl)-10-oxabicyclo[7.2.1]dodecane
SpectraBase Compound ID GpXN98LZTNx
InChI InChI=1S/C28H50O7/c1-29-17-21-19-13-9-5-7-11-15-23(31-3)25(21)33-27(19)35-28-20-14-10-6-8-12-16-24(32-4)26(34-28)22(20)18-30-2/h19-28H,5-18H2,1-4H3/t19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1
InChIKey IYXMFTUWEXPZLV-SKSLZCFZSA-N
Mol Weight 498.7 g/mol
Molecular Formula C28H50O7
Exact Mass 498.355654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EujzccKhJ76
Name (1R,8R,9R,11S,12S)-8-methoxy-11-[[(1R,8R,9R,11S,12S)-8-methoxy-12-(methoxymethyl)-10-oxabicyclo[7.2.1]dodecan-11-yl]oxy]-12-(methoxymethyl)-10-oxabicyclo[7.2.1]dodecane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O7
InChI InChI=1S/C28H50O7/c1-29-17-21-19-13-9-5-7-11-15-23(31-3)25(21)33-27(19)35-28-20-14-10-6-8-12-16-24(32-4)26(34-28)22(20)18-30-2/h19-28H,5-18H2,1-4H3/t19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1
InChIKey IYXMFTUWEXPZLV-SKSLZCFZSA-N
Molecular Weight 498.701 g/mol
SMILES [C@@]1(O[C@]2([C@](OC)(CCCCCC[C@@]1([C@]2(COC)[H])[H])[H])[H])(O[C@@]1(O[C@]2([C@](OC)(CCCCCC[C@@]1([C@]2(COC)[H])[H])[H])[H])[H])[H]
SPLASH splash10-0006-0090300000-e4bc933ab6094b04eb9d
Source of Spectrum U1-1998-687-8
Wiley ID 750926