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((1S,9R)-6-Acetyl-9-ethyl-4-methoxy-1-methyl-8-oxa-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,5-trien-13-yl)-acetic acid methyl ester
SpectraBase Compound ID AP4TXpyU4uh
InChI InChI=1S/C21H28O5/c1-6-21-9-7-8-20(3,17(21)12-18(23)25-5)16-11-14(24-4)10-15(13(2)22)19(16)26-21/h10-11,17H,6-9,12H2,1-5H3/t17-,20+,21+/m0/s1
InChIKey XTGQJKBOZQTXKV-IOMROCGXSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XP8A59IhZ
Name ((1S,9R)-6-Acetyl-9-ethyl-4-methoxy-1-methyl-8-oxa-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,5-trien-13-yl)-acetic acid methyl ester
Alternate Name(s) ((1S,9R)-6-acetyl-9-Ethyl-4-methoxy-1-methyl-8-oxa-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-13-yl)-acetic acid methyl ester
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Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-6-21-9-7-8-20(3,17(21)12-18(23)25-5)16-11-14(24-4)10-15(13(2)22)19(16)26-21/h10-11,17H,6-9,12H2,1-5H3/t17-,20+,21+/m0/s1
InChIKey XTGQJKBOZQTXKV-IOMROCGXSA-N
Molecular Weight 360.450 g/mol
SMILES c12c([C@]3(CCC[C@@](O2)([C@]3(CC(=O)OC)[H])CC)C)cc(cc1C(=O)C)OC
SPLASH splash10-0btc-4196000000-4551bf00f5f5e50a746e
Source of Spectrum B-51-1172-24
Wiley ID 746031