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Stigmastanol, isovalerate
SpectraBase Compound ID HXZQJBQ7wt1
InChI InChI=1S/C34H60O2/c1-9-25(23(4)5)11-10-24(6)29-14-15-30-28-13-12-26-21-27(36-32(35)20-22(2)3)16-18-33(26,7)31(28)17-19-34(29,30)8/h22-31H,9-21H2,1-8H3
InChIKey UUXOWLBLCKOLFR-UHFFFAOYSA-N
Mol Weight 500.9 g/mol
Molecular Formula C34H60O2
Exact Mass 500.459331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1wHxGtT1nj
Name Stigmastanol, isovalerate
Comments Computed using HOSE algorithm
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Exact Mass 500.459331170 u
Formula C34H60O2
InChI InChI=1S/C34H60O2/c1-9-25(23(4)5)11-10-24(6)29-14-15-30-28-13-12-26-21-27(36-32(35)20-22(2)3)16-18-33(26,7)31(28)17-19-34(29,30)8/h22-31H,9-21H2,1-8H3
InChIKey UUXOWLBLCKOLFR-UHFFFAOYSA-N
Molecular Weight 500.852 g/mol
SMILES C1CC2(C(CC1OC(CC(C)C)=O)CCC1C2CCC2(C1CCC2C(CCC(CC)C(C)C)C)C)C