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(+-)-trans-12-Deoxo-12,12-dihydroisorotoxenone
SpectraBase Compound ID FqCsaKPYZQA
InChI InChI=1S/C23H24O5/c1-23(2)8-7-14-17(28-23)6-5-13-9-15-16-10-19(24-3)20(25-4)11-18(16)26-12-21(15)27-22(13)14/h5-8,10-11,15,21H,9,12H2,1-4H3/t15-,21-/m1/s1
InChIKey NXVCCQDXHILFPP-QVKFZJNVSA-N
Mol Weight 380.44 g/mol
Molecular Formula C23H24O5
Exact Mass 380.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RZ3gEXBUs5
Name (+-)-trans-12-Deoxo-12,12-dihydroisorotoxenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O5
InChI InChI=1S/C23H24O5/c1-23(2)8-7-14-17(28-23)6-5-13-9-15-16-10-19(24-3)20(25-4)11-18(16)26-12-21(15)27-22(13)14/h5-8,10-11,15,21H,9,12H2,1-4H3/t15-,21-/m1/s1
InChIKey NXVCCQDXHILFPP-QVKFZJNVSA-N
Molecular Weight 380.440 g/mol
SMILES c12O[C@@]3(COc4c([C@]3(Cc2ccc2c1C=CC(C)(C)O2)[H])cc(c(OC)c4)OC)[H]
SPLASH splash10-004i-0900000000-0d67c7bc101097a8d2d5
Source of Spectrum KC-0-2597-33
Wiley ID 779981