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12-.alpha.-Hydroxy-cis-isorotenoid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

12-.alpha.-Hydroxy-cis-isorotenoid
SpectraBase Compound ID waWkJQzf5F
InChI InChI=1S/C23H24O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-21,24H,11H2,1-4H3/t19-,20+,21-/m1/s1
InChIKey IJAQBPQREYMUET-QHAWAJNXSA-N
Mol Weight 396.44 g/mol
Molecular Formula C23H24O6
Exact Mass 396.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqrGSfmSIP2
Name 12-.alpha.-Hydroxy-cis-isorotenoid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.157288487 u
Formula C23H24O6
InChI InChI=1S/C23H24O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-21,24H,11H2,1-4H3/t19-,20+,21-/m1/s1
InChIKey IJAQBPQREYMUET-QHAWAJNXSA-N
Molecular Weight 396.439 g/mol
SMILES C12=C([C@]([C@]3(C4=C(C=C(C(=C4)OC)OC)OC[C@]3(O1)[H])[H])(O)[H])C=CC1=C2C=CC(C)(C)O1