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14-chloro-2.beta.,8.beta.,-10.alpha.-trihydroxy-1.alpha.H,5.alpha.H,6.beta.H,7.alpha.H-guai-3,11(13)-dien-6,12-olide
SpectraBase Compound ID Dh0T1iae0yd
InChI InChI=1S/C15H19ClO5/c1-6-3-8(17)12-10(6)13-11(7(2)14(19)21-13)9(18)4-15(12,20)5-16/h3,8-13,17-18,20H,2,4-5H2,1H3/t8-,9-,10+,11-,12-,13-,15+/m1/s1
InChIKey JNRJLCSYIQFLDS-DKLFCYGSSA-N
Mol Weight 314.76 g/mol
Molecular Formula C15H19ClO5
Exact Mass 314.092101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31sKh6iDZVZ
Name 14-chloro-2.beta.,8.beta.,-10.alpha.-trihydroxy-1.alpha.H,5.alpha.H,6.beta.H,7.alpha.H-guai-3,11(13)-dien-6,12-olide
Alternate Name(s) Eupalinilide D
Appearance Colorless gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19ClO5
InChI InChI=1S/C15H19ClO5/c1-6-3-8(17)12-10(6)13-11(7(2)14(19)21-13)9(18)4-15(12,20)5-16/h3,8-13,17-18,20H,2,4-5H2,1H3/t8-,9-,10+,11-,12-,13-,15+/m1/s1
InChIKey JNRJLCSYIQFLDS-DKLFCYGSSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np040023h
Molecular Weight 314.765 g/mol
Optical Rotation [a]D20 = -59.4 (c = 0.8, CHCl3)
Reported Formula C15H19ClO5
SMILES O[C@]1([C@]2([C@@]([C@@]3([C@@]([C@@](C1)(O)[H])(C(C(O3)=O)=C)[H])[H])(C(=C[C@]2(O)[H])C)[H])[H])CCl
SPLASH splash10-0a6s-3920000000-87978cea0055631a7a39
Source of Spectrum G4-67-1474-4
Wiley ID 1881877