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REL-(-)-(7S,9R,10S)-3,9,12-TRIHYDROXY-CALAMENENE

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REL-(-)-(7S,9R,10S)-3,9,12-TRIHYDROXY-CALAMENENE
SpectraBase Compound ID GkNVhwlbrEi
InChI InChI=1S/C15H22O3/c1-8-4-13-11(9(2)7-16)5-15(18)10(3)12(13)6-14(8)17/h4,6,9-11,15-18H,5,7H2,1-3H3/t9?,10-,11+,15-/m1/s1
InChIKey MGBUZVXHLLSUJN-UFFDXJJYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOlrzjJqvRD
Name REL-(-)-(7S,9R,10S)-3,9,12-TRIHYDROXY-CALAMENENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-8-4-13-11(9(2)7-16)5-15(18)10(3)12(13)6-14(8)17/h4,6,9-11,15-18H,5,7H2,1-3H3/t9?,10-,11+,15-/m1/s1
InChIKey MGBUZVXHLLSUJN-UFFDXJJYSA-N
Literature Reference Author G.H.SILVA,H.L.TELES,L.M.ZANARDI,M.C.M.YOUNG,M.N.EBERLIN,R.HA DAD,L.H.PHENNING,C.M
Literature Reference Citation PHYTOCHEM.,67,1964(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.06.004
Molecular Weight 250.338 g/mol
Sample ID 67103
Solvent Unknown