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Stigmastanol, 2-ethylbutyrate

View entire compound with spectra: 1 NMR

Stigmastanol, 2-ethylbutyrate
SpectraBase Compound ID EFBY7KEP4o7
InChI InChI=1S/C35H62O2/c1-9-25(10-2)33(36)37-28-18-20-34(7)27(22-28)14-15-29-31-17-16-30(35(31,8)21-19-32(29)34)24(6)12-13-26(11-3)23(4)5/h23-32H,9-22H2,1-8H3
InChIKey AACMWZHTQIDPNX-UHFFFAOYSA-N
Mol Weight 514.9 g/mol
Molecular Formula C35H62O2
Exact Mass 514.474981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCd40IXVW3G
Name Stigmastanol, 2-ethylbutyrate
Comments Computed using HOSE algorithm
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Exact Mass 514.474981234 u
Formula C35H62O2
InChI InChI=1S/C35H62O2/c1-9-25(10-2)33(36)37-28-18-20-34(7)27(22-28)14-15-29-31-17-16-30(35(31,8)21-19-32(29)34)24(6)12-13-26(11-3)23(4)5/h23-32H,9-22H2,1-8H3
InChIKey AACMWZHTQIDPNX-UHFFFAOYSA-N
Molecular Weight 514.879 g/mol
SMILES C1CC2(C(CC1OC(C(CC)CC)=O)CCC1C2CCC2(C1CCC2C(CCC(CC)C(C)C)C)C)C