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Heliannuol D

View entire compound with spectra: 1 MS (GC)

Heliannuol D
SpectraBase Compound ID 4cvrKgzNytj
InChI InChI=1S/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3/t9-,14-/m0/s1
InChIKey BIIJJHXLFCDTIZ-XPTSAGLGSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ho1BoGtGjib
Name Heliannuol D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3/t9-,14-/m0/s1
InChIKey BIIJJHXLFCDTIZ-XPTSAGLGSA-N
Molecular Weight 250.338 g/mol
SMILES OC([C@]1(Oc2cc(c(cc2[C@](CC1)(C)[H])O)C)[H])(C)C
SPLASH splash10-0udi-0930000000-e3531cbd9180b5cf37c6
Source of Spectrum J-59-8265-4
Synonyms (2S,5S)-2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol (2S,5S)-5,8-dimethyl-2-(2-oxidanylpropan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
Wiley ID 1253732