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13-(1'-Hydroxyethyl)-8.alpha.,16-diacetoxy-11-epicostus lactone

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

13-(1'-Hydroxyethyl)-8.alpha.,16-diacetoxy-11-epicostus lactone
SpectraBase Compound ID HZ41oGTx29R
InChI InChI=1S/C21H28O6/c1-10-6-7-15-11(2)8-17(26-14(5)23)19-16(9-12(3)25-13(4)22)21(24)27-20(19)18(10)15/h12,15-20H,1-2,6-9H2,3-5H3/t12?,15?,16-,17+,18?,19?,20-/m1/s1
InChIKey OQLXSVNTKQLPHD-UKFKSHRMSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FnRo6gcETCP
Name 13-(1'-Hydroxyethyl)-8.alpha.,16-diacetoxy-11-epicostus lactone
Comments Computed using HOSE algorithm
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Exact Mass 376.188588616 u
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-10-6-7-15-11(2)8-17(26-14(5)23)19-16(9-12(3)25-13(4)22)21(24)27-20(19)18(10)15/h12,15-20H,1-2,6-9H2,3-5H3/t12?,15?,16-,17+,18?,19?,20-/m1/s1
InChIKey OQLXSVNTKQLPHD-UKFKSHRMSA-N
Molecular Weight 376.449 g/mol
SMILES [C@@]12(C([C@@](CC(OC(=O)C)C)(C(O2)=O)[H])[C@](CC(C2C1C(CC2)=C)=C)(OC(=O)C)[H])[H]