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3-KETOAPOTRICHOTHECENE
SpectraBase Compound ID 6vAxRYGsqX1
InChI InChI=1S/C15H22O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,12,16H,4-5,7-9H2,1-3H3/t12-,13-,14+,15-/m0/s1
InChIKey JJBMWLFFOIHRLZ-XQLPTFJDSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hmg1pKFMQSD
Name (3aR,4aS,8aR,8bR)-3a-(hydroxymethyl)-6,8a,8b-trimethyl-3,4a,7,8-tetrahydro-1H-cyclopenta[b]benzofuran-2-one
CAS Registry Number 122470-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,12,16H,4-5,7-9H2,1-3H3/t12-,13-,14+,15-/m0/s1
InChIKey JJBMWLFFOIHRLZ-XQLPTFJDSA-N
Molecular Weight 250.338 g/mol
SMILES OC[C@]12[C@@]([C@]3(CCC(=C[C@@]3(O2)[H])C)C)(CC(C1)=O)C
SPLASH splash10-052f-9850000000-65939883c8e902f1917c
Source of Spectrum J-54-4317-6
Synonyms (3aR,4aS,8aR,8bR)-3a-(hydroxymethyl)-6,8a,8b-trimethyl-3,4a,7,8-tetrahydro-1H-cyclopenta[b][1]benzofuran-2-one (3aR,4aS,8aR,8bR)-6,8a,8b-trimethyl-3a-methylol-3,4a,7,8-tetrahydro-1H-cyclopenta[b]benzofuran-2-one
Wiley ID 1253665