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(3S,12bS)-3-Acetoxy-3-methyl-1,2,3,4,6,12b-hexahydrobenzo[a]anthracene-7,12-dione
SpectraBase Compound ID IvJJnFryXNr
InChI InChI=1S/C21H20O4/c1-12(22)25-21(2)10-9-14-13(11-21)7-8-17-18(14)20(24)16-6-4-3-5-15(16)19(17)23/h3-7,14H,8-11H2,1-2H3/t14-,21-/m0/s1
InChIKey UADAZPKOIKILKZ-QKKBWIMNSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLYSzRm2qU0
Name (3S,12bS)-3-Acetoxy-3-methyl-1,2,3,4,6,12b-hexahydrobenzo[a]anthracene-7,12-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-12(22)25-21(2)10-9-14-13(11-21)7-8-17-18(14)20(24)16-6-4-3-5-15(16)19(17)23/h3-7,14H,8-11H2,1-2H3/t14-,21-/m0/s1
InChIKey UADAZPKOIKILKZ-QKKBWIMNSA-N
Molecular Weight 336.387 g/mol
SMILES C12=C(C(=O)c3c(C2=O)cccc3)CC=C2[C@@]1(CC[C@@](OC(=O)C)(C)C2)[H]
SPLASH splash10-004i-1590000000-d5c0b6484e82e917af79
Source of Spectrum QE-6-912-6
Synonyms (3S,12bS)-3-methyl-7,12-dioxo-1,2,3,4,6,7,12,12b-octahydrobenzo[a]anthracen-3-yl acetate
Wiley ID 844507