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11,13-Dihydro-3.alpha.,11.beta.-dihydroxyarbusculin B

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

11,13-Dihydro-3.alpha.,11.beta.-dihydroxyarbusculin B
SpectraBase Compound ID IaUGQARF7zp
InChI InChI=1S/C15H22O4/c1-8-10(16)5-7-14(2)6-4-9-12(11(8)14)19-13(17)15(9,3)18/h9-10,12,16,18H,4-7H2,1-3H3/t9-,10-,12+,14+,15-/m1/s1
InChIKey HFLHMHHYNQDHCT-IQCLJPLKSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTKXL4iJ7Mg
Name 11,13-Dihydro-3.alpha.,11.beta.-dihydroxyarbusculin B
Comments Computed using HOSE algorithm
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Exact Mass 266.151809184 u
Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-8-10(16)5-7-14(2)6-4-9-12(11(8)14)19-13(17)15(9,3)18/h9-10,12,16,18H,4-7H2,1-3H3/t9-,10-,12+,14+,15-/m1/s1
InChIKey HFLHMHHYNQDHCT-IQCLJPLKSA-N
Molecular Weight 266.337 g/mol
SMILES [C@]12(C3=C([C@](O)(CC[C@]3(C)CC[C@]1([C@](O)(C)C(O2)=O)[H])[H])C)[H]