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18 - nor - Abieta - 8,11,13 - trienedehydro - abietin

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18 - nor - Abieta - 8,11,13 - trienedehydro - abietin
SpectraBase Compound ID BlZ6VIYEVQB
InChI InChI=1S/C19H28/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h7,10,12-14,17H,5-6,8-9,11H2,1-4H3/t14-,17-,19-/m1/s1
InChIKey DAYLDISWSXEJLN-LSBZLQRGSA-N
Mol Weight 256.43 g/mol
Molecular Formula C19H28
Exact Mass 256.219101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2L5LiB8fDFj
Name 18 - nor - Abieta - 8,11,13 - trienedehydro - abietin
Comments Computed using HOSE algorithm
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Exact Mass 256.219100902 u
Formula C19H28
InChI InChI=1S/C19H28/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h7,10,12-14,17H,5-6,8-9,11H2,1-4H3/t14-,17-,19-/m1/s1
InChIKey DAYLDISWSXEJLN-LSBZLQRGSA-N
Molecular Weight 256.433 g/mol
SMILES [C@@]12(C3=C(C=C(C(C)C)C=C3)CC[C@@]1([C@@](CCC2)(C)[H])[H])C