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Rotiorin

View entire compound with spectra: 1 MS (GC)

Rotiorin
SpectraBase Compound ID D3spjD6SsSJ
InChI InChI=1S/C23H24O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13H,6H2,1-5H3/b8-7+,14-9+/t13-,23-/m0/s1
InChIKey CJMOMVNHRUTOJX-WCUWGRSFSA-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 CriQ2gPGxwD
Name Rotiorin
Comments MONAID: JP003239
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O5
InChI InChI=1S/C23H24O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13H,6H2,1-5H3/b8-7+,14-9+/t13-,23-/m0/s1
InChIKey CJMOMVNHRUTOJX-WCUWGRSFSA-N
Molecular Weight 380.440 g/mol
SMILES C1(=CC=2C(=CO1)C([C@@]1(C(C2)=C(C(O1)=O)C(=O)C)C)=O)\C=C\C(=C\[C@](CC)(C)[H])C
SPLASH splash10-0019-0019000000-9d62dd7a7ab0c16121d9
Source of Spectrum SRH-2022-3239-0
Wiley ID 1825524