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3(R),13-Dihydroxycembra-4(18),7,15(17)-trien-16,14-olide

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3(R),13-Dihydroxycembra-4(18),7,15(17)-trien-16,14-olide
SpectraBase Compound ID CsIUJP7I9n7
InChI InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17(21)11-16-15(4)20(23)24-19(16)18(22)14(3)10-6-8-12/h7,14,16-19,21-22H,2,4-6,8-11H2,1,3H3/b12-7+/t14-,16-,17+,18+,19+/m0/s1
InChIKey SQZQILNEYFKUMI-YSIFGUBHSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FLSY9mCfFZ
Name 3(R),13-Dihydroxycembra-4(18),7,15(17)-trien-16,14-olide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17(21)11-16-15(4)20(23)24-19(16)18(22)14(3)10-6-8-12/h7,14,16-19,21-22H,2,4-6,8-11H2,1,3H3/b12-7+/t14-,16-,17+,18+,19+/m0/s1
InChIKey SQZQILNEYFKUMI-YSIFGUBHSA-N
Molecular Weight 334.456 g/mol
SMILES [C@]12([C@](C(=C)C(O2)=O)(C[C@](C(=C)CC\C=C\(CCC[C@@]([C@]1(O)[H])(C)[H])C)(O)[H])[H])[H]