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(7.alpha.)-7-[4-(2-Hydroxy-1-methylethyl)benzyl]abieta-8,11,13-trien-12-ol
SpectraBase Compound ID LmKpAEuH4E6
InChI InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1
InChIKey RLSVGFPVFKWRKH-YHGBQTNRSA-N
Mol Weight 434.7 g/mol
Molecular Formula C30H42O2
Exact Mass 434.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cla5nbeFpG
Name (7.alpha.)-7-[4-(2-Hydroxy-1-methylethyl)benzyl]abieta-8,11,13-trien-12-ol
Comments Computed using HOSE algorithm
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Exact Mass 434.318480590 u
Formula C30H42O2
InChI InChI=1S/C30H42O2/c1-19(2)23-17-24-21(15-20-9-11-22(12-10-20)29(5,6)32)16-27-28(3,4)13-8-14-30(27,7)25(24)18-26(23)31/h9-12,17-19,21,27,31-32H,8,13-16H2,1-7H3/t21-,27+,30-/m1/s1
InChIKey RLSVGFPVFKWRKH-YHGBQTNRSA-N
Molecular Weight 434.664 g/mol
SMILES C1CC(C)([C@@]2(C[C@@](CC3=CC=C(C=C3)C(C)(C)O)(C3=C([C@@]2(C)C1)C=C(O)C(C(C)C)=C3)[H])[H])C