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15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid, 2me derivative

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15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid, 2me derivative
SpectraBase Compound ID IQx74AbdcU1
InChI InChI=1S/C22H32O4/c1-15-6-9-22(3)18(20(23)25-5)12-17(24-4)13-19(22)21(15,2)10-7-16-8-11-26-14-16/h8,11-12,14-15,17,19H,6-7,9-10,13H2,1-5H3/t15-,17-,19?,21+,22-/m1/s1
InChIKey JCOFNXDBORRPRH-XDHJVLTPSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 756Wr9yH82a
Name 15,16-Epoxy-2-hydroxy-3,13(16),14-clerodatrien-18-oic acid, 2me derivative
Comments Computed using HOSE algorithm
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Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-15-6-9-22(3)18(20(23)25-5)12-17(24-4)13-19(22)21(15,2)10-7-16-8-11-26-14-16/h8,11-12,14-15,17,19H,6-7,9-10,13H2,1-5H3/t15-,17-,19?,21+,22-/m1/s1
InChIKey JCOFNXDBORRPRH-XDHJVLTPSA-N
Molecular Weight 360.494 g/mol
SMILES [C@@]1(C=C(C(=O)OC)[C@]2(CC[C@]([C@@](C2C1)(CCC1=COC=C1)C)(C)[H])C)(OC)[H]