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(11S)-8-Methoxy-serrulatane-5,18-diol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(11S)-8-Methoxy-serrulatane-5,18-diol
SpectraBase Compound ID HinaVXhddLE
InChI InChI=1S/C21H34O3/c1-13(2)7-6-8-16(12-22)17-10-9-14(3)19-18(24-5)11-15(4)21(23)20(17)19/h11,13-14,16-17,22-23H,6-10,12H2,1-5H3/t14-,16-,17+/m1/s1
InChIKey RLORKSSMLGEZLW-OIISXLGYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRhLoOWDm6E
Name (11S)-8-Methoxy-serrulatane-5,18-diol
Comments Computed using HOSE algorithm
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Exact Mass 334.250794952 u
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-13(2)7-6-8-16(12-22)17-10-9-14(3)19-18(24-5)11-15(4)21(23)20(17)19/h11,13-14,16-17,22-23H,6-10,12H2,1-5H3/t14-,16-,17+/m1/s1
InChIKey RLORKSSMLGEZLW-OIISXLGYSA-N
Molecular Weight 334.500 g/mol
SMILES C12=C(C(OC)=CC(=C2O)C)[C@](C)(CC[C@]1([C@@](CO)(CCCC(C)C)[H])[H])[H]