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6a,12a-Dehydro-.alpha.-toxicarol
SpectraBase Compound ID 2ID2CQdMXsy
InChI InChI=1S/C23H20O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,24H,10H2,1-4H3
InChIKey HDDUSYQWBVKRGV-UHFFFAOYSA-N
Mol Weight 408.41 g/mol
Molecular Formula C23H20O7
Exact Mass 408.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8LpWxmEoBC
Name 6a,12a-Dehydro-.alpha.-toxicarol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O7
InChI InChI=1S/C23H20O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,24H,10H2,1-4H3
InChIKey HDDUSYQWBVKRGV-UHFFFAOYSA-N
Molecular Weight 408.406 g/mol
SMILES Oc1c2C(C3=C(Oc2c2c(OC(C=C2)(C)C)c1)COc1c3cc(c(OC)c1)OC)=O
SPLASH splash10-052f-0009600000-b835d648fb7015d880af
Source of Spectrum E1-41-1457-3
Wiley ID 1552105