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Ethanone, 1-[4-(acetyloxy)-2,3,3a,4,5,6-hexahydro-9-methoxy-3a-methyl-1H-phenalen-1-yl]-, [3aR-(3a.alpha.,4.alpha.)]-
SpectraBase Compound ID ATVgJBQWiNU
InChI InChI=1S/C19H24O4/c1-11(20)14-9-10-19(3)16(23-12(2)21)8-6-13-5-7-15(22-4)17(14)18(13)19/h5,7,14,16H,6,8-10H2,1-4H3/t14?,16-,19+/m1/s1
InChIKey NJBSQEBSDLFNPD-NBMIWUGMSA-N
Mol Weight 316.4 g/mol
Molecular Formula C19H24O4
Exact Mass 316.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdGB5T2yYbG
Name Ethanone, 1-[4-(acetyloxy)-2,3,3a,4,5,6-hexahydro-9-methoxy-3a-methyl-1H-phenalen-1-yl]-, [3aR-(3a.alpha.,4.alpha.)]-
CAS Registry Number 112280-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O4
InChI InChI=1S/C19H24O4/c1-11(20)14-9-10-19(3)16(23-12(2)21)8-6-13-5-7-15(22-4)17(14)18(13)19/h5,7,14,16H,6,8-10H2,1-4H3/t14?,16-,19+/m1/s1
InChIKey NJBSQEBSDLFNPD-NBMIWUGMSA-N
Molecular Weight 316.397 g/mol
SMILES c12[C@@]3([C@](OC(=O)C)(CCc2ccc(c1C(CC3)C(=O)C)OC)[H])C
SPLASH splash10-0229-0960000000-f13f8488386c84918a2b
Source of Spectrum I-65-25-16
Synonyms (1R,9aR)-7-acetyl-6-methoxy-9a-methyl-2,3,7,8,9,9a-hexahydro-1H-phenalen-1-yl acetate 3-Acetyl-4-methoxy-9-acetoxy-9(a)-methyl-1,2,3,3a,7,8,9-heptahydro-phenalene
Wiley ID 1316918