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3,13-Epoxy-4-hydroxycembra-7,15(17)-dien-16,14-olide
SpectraBase Compound ID GNKHA5fYvNZ
InChI InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(21)24-18)11-16(23-17)20(4,22)10-6-8-12/h8,13,15-18,22H,3,5-7,9-11H2,1-2,4H3/b12-8-/t13-,15-,16-,17+,18+,20+/m0/s1
InChIKey RFCBIORAGZWLAM-LMIXSATNSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65n40ExpsnP
Name 3,13-Epoxy-4-hydroxycembra-7,15(17)-dien-16,14-olide
Comments Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718218
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(21)24-18)11-16(23-17)20(4,22)10-6-8-12/h8,13,15-18,22H,3,5-7,9-11H2,1-2,4H3/b12-8-/t13-,15-,16-,17+,18+,20+/m0/s1
InChIKey RFCBIORAGZWLAM-LMIXSATNSA-N
Molecular Weight 334.456 g/mol
SMILES O[C@]1([C@]2(O[C@@]([C@]3([C@](C(=C)C(O3)=O)(C2)[H])[H])([C@](CCC\C(=C/CC1)C)(C)[H])[H])[H])C
SPLASH splash10-001i-9100000000-e5d847dd9ab6a55fb1f2
Source of Spectrum F-57-105-24
Wiley ID 1549063