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4a.beta.,5.beta.-(isopropylidenedioxy)-7-methoxy-1,2,3,4,4a,5,12,12a.alpha.-octahydro-2,6,11-naphthacenetrione
SpectraBase Compound ID Ct1jPsZjQrt
InChI InChI=1S/C22H22O6/c1-22(2)27-16-8-10-7-13-14(9-12(10)21(28-22)20(16)25)18(23)11-5-4-6-15(26-3)17(11)19(13)24/h4-6,10,12,16,21H,7-9H2,1-3H3/t10-,12?,16?,21?/m0/s1
InChIKey ZBGLWWZFZXIVSE-SMNQBCIWSA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzxcbPbzZC4
Name 4a.beta.,5.beta.-(isopropylidenedioxy)-7-methoxy-1,2,3,4,4a,5,12,12a.alpha.-octahydro-2,6,11-naphthacenetrione
CAS Registry Number 114506-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-22(2)27-16-8-10-7-13-14(9-12(10)21(28-22)20(16)25)18(23)11-5-4-6-15(26-3)17(11)19(13)24/h4-6,10,12,16,21H,7-9H2,1-3H3/t10-,12?,16?,21?/m0/s1
InChIKey ZBGLWWZFZXIVSE-SMNQBCIWSA-N
Molecular Weight 382.412 g/mol
SMILES C12=C(C(=O)c3c(C2=O)c(OC)ccc3)CC2C3OC(OC(C3=O)C[C@@]2(C1)[H])(C)C
SPLASH splash10-0600-0019000000-8c88d21cec27a16db15b
Source of Spectrum J-53-2978-31
Synonyms (15S)-10-methoxy-19,19-dimethyl-18,20-dioxapentacyclo[15.3.1.0(2,15).0(4,13).0(6,11)]henicosa-4(13),6,8,10-tetraene-5,12,21-trione
Wiley ID 1360611