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12-Chloro-14.alpha.-hydroxy-eudesm-7(11)-eno - 13,6.alpha.-Lactone
SpectraBase Compound ID 2ctj1mdkfWM
InChI InChI=1S/C15H21ClO3/c1-14-5-3-6-15(2,18)12(14)11-9(4-7-14)10(8-16)13(17)19-11/h11-12,18H,3-8H2,1-2H3/t11-,12+,14+,15+/m0/s1
InChIKey CFLKWGYYCQOMNA-CTHBEMJXSA-N
Mol Weight 284.78 g/mol
Molecular Formula C15H21ClO3
Exact Mass 284.117922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YD5AhysiUs
Name 12-Chloro-14.alpha.-hydroxy-eudesm-7(11)-eno - 13,6.alpha.-Lactone
Alternate Name(s) (5aR,9R,9aS,9bR)-3-(chloromethyl)-9-hydroxy-5a,9-dimethyl-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-2-one (5aR,9R,9aS,9bR)-3-(chloromethyl)-5a,9-dimethyl-9-oxidanyl-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21ClO3
InChI InChI=1S/C15H21ClO3/c1-14-5-3-6-15(2,18)12(14)11-9(4-7-14)10(8-16)13(17)19-11/h11-12,18H,3-8H2,1-2H3/t11-,12+,14+,15+/m0/s1
InChIKey CFLKWGYYCQOMNA-CTHBEMJXSA-N
Molecular Weight 284.783 g/mol
SMILES O[C@]1([C@@]2([C@@]3(C(=C(C(O3)=O)CCl)CC[C@]2(CCC1)C)[H])[H])C
SPLASH splash10-0006-0900000000-eb241b33ccd534738f4b
Source of Spectrum X2-55-1625-14
Wiley ID 1604614