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5.alpha.,8.alpha.-Dihydroxy-13E-labden-12-one
SpectraBase Compound ID 7as14RAHYA3
InChI InChI=1S/C20H34O3/c1-7-14(2)15(21)13-16-18(5)10-8-9-17(3,4)20(18,23)12-11-19(16,6)22/h7,16,22-23H,8-13H2,1-6H3/b14-7+/t16-,18-,19-,20-/m1/s1
InChIKey GCFLWOHNWFXNSV-HKAOSCSESA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlqC01XtZoj
Name 5.alpha.,8.alpha.-Dihydroxy-13E-labden-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-7-14(2)15(21)13-16-18(5)10-8-9-17(3,4)20(18,23)12-11-19(16,6)22/h7,16,22-23H,8-13H2,1-6H3/b14-7+/t16-,18-,19-,20-/m1/s1
InChIKey GCFLWOHNWFXNSV-HKAOSCSESA-N
Molecular Weight 322.489 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@@](CC1)(C(CCC2)(C)C)O)C)(CC(\C(=C\C)C)=O)[H])C
SPLASH splash10-0f89-9161000000-07254ba1f05523fc2fa0
Source of Spectrum AT-38-1978-3
Wiley ID 853793