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12-Hydroxy-3.alpha.-angeloyloxyeremophila-6,9-dien-8-one

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

12-Hydroxy-3.alpha.-angeloyloxyeremophila-6,9-dien-8-one
SpectraBase Compound ID 8AcBMIYQdRp
InChI InChI=1S/C20H28O4/c1-6-12(2)19(23)24-18-8-7-15-9-17(22)16(13(3)11-21)10-20(15,5)14(18)4/h6,9-10,13-14,18,21H,7-8,11H2,1-5H3/b12-6+/t13?,14-,18+,20+/m0/s1
InChIKey TUIVAYKWPQUUQR-HRBDURAISA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4S2r6fwuae
Name 12-Hydroxy-3.alpha.-angeloyloxyeremophila-6,9-dien-8-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-6-12(2)19(23)24-18-8-7-15-9-17(22)16(13(3)11-21)10-20(15,5)14(18)4/h6,9-10,13-14,18,21H,7-8,11H2,1-5H3/b12-6+/t13?,14-,18+,20+/m0/s1
InChIKey TUIVAYKWPQUUQR-HRBDURAISA-N
Molecular Weight 332.440 g/mol
SMILES OCC(C1=C[C@]2(C(=CC1=O)CC[C@@](OC(\C(=C\C)C)=O)([C@@]2(C)[H])[H])C)C
SPLASH splash10-000x-9001000000-1af949d4efa229b7cd37
Source of Spectrum QC-25-1079-1
Wiley ID 1584353