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3-Acetyl-6,7-diacetoxy-6,7-dihydro-Atholactone
SpectraBase Compound ID GfPACvrRua1
InChI InChI=1S/C19H20O9/c1-9(20)24-14-13(12-7-5-4-6-8-12)27-15-16(14)28-19(23)18(26-11(3)22)17(15)25-10(2)21/h4-8,13-18H,1-3H3/t13-,14-,15?,16+,17+,18+/m1/s1
InChIKey IYFWJKICTSFDTB-QELNGKEWSA-N
Mol Weight 392.36 g/mol
Molecular Formula C19H20O9
Exact Mass 392.110732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nR3GHuTy0n
Name 3-Acetyl-6,7-diacetoxy-6,7-dihydro-Atholactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O9
InChI InChI=1S/C19H20O9/c1-9(20)24-14-13(12-7-5-4-6-8-12)27-15-16(14)28-19(23)18(26-11(3)22)17(15)25-10(2)21/h4-8,13-18H,1-3H3/t13-,14-,15?,16+,17+,18+/m1/s1
InChIKey IYFWJKICTSFDTB-QELNGKEWSA-N
Molecular Weight 392.360 g/mol
SMILES C12[C@]([C@](OC(=O)C)([C@](O2)(c2ccccc2)[H])[H])(OC([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])=O)[H]
SPLASH splash10-0a4r-3910000000-4fe19f206ff9acba8a69
Source of Spectrum G4-62-1108-6
Wiley ID 1607942