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5-Salicylate of Jaeschkeanadiol [3,7-dimethyl-10-isopropylhexahydro-1H-azulene-5,10-diol-5-salicylate]
SpectraBase Compound ID KNoWeQBU3zW
InChI InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-7-5-6-8-17(16)23/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1
InChIKey KVBYAXSJSBEUHY-YUVXSKOASA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Js2AcgQ5dh
Name 5-Salicylate of Jaeschkeanadiol [3,7-dimethyl-10-isopropylhexahydro-1H-azulene-5,10-diol-5-salicylate]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-7-5-6-8-17(16)23/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1
InChIKey KVBYAXSJSBEUHY-YUVXSKOASA-N
Molecular Weight 358.478 g/mol
SMILES Oc1c(C(O[C@@]2([C@]3([C@@](CC[C@@]3(CC=C(C2)C)C)(C(C)C)O)[H])[H])=O)cccc1
SPLASH splash10-0609-0928000000-8e857b88948f450e230d
Source of Spectrum CF-10-483-6
Wiley ID 1556985