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Stigmastanol, butyrate

View entire compound with spectra: 1 NMR

Stigmastanol, butyrate
SpectraBase Compound ID CJBKFkHPrQb
InChI InChI=1S/C33H58O2/c1-8-10-31(34)35-26-17-19-32(6)25(21-26)13-14-27-29-16-15-28(33(29,7)20-18-30(27)32)23(5)11-12-24(9-2)22(3)4/h22-30H,8-21H2,1-7H3
InChIKey PUOCWTFVPSZDHQ-UHFFFAOYSA-N
Mol Weight 486.8 g/mol
Molecular Formula C33H58O2
Exact Mass 486.443681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2iScsDIbHU
Name Stigmastanol, butyrate
Comments Computed using HOSE algorithm
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Exact Mass 486.443681106 u
Formula C33H58O2
InChI InChI=1S/C33H58O2/c1-8-10-31(34)35-26-17-19-32(6)25(21-26)13-14-27-29-16-15-28(33(29,7)20-18-30(27)32)23(5)11-12-24(9-2)22(3)4/h22-30H,8-21H2,1-7H3
InChIKey PUOCWTFVPSZDHQ-UHFFFAOYSA-N
Molecular Weight 486.825 g/mol
SMILES C1CC2(C(CC1OC(CCC)=O)CCC1C2CCC2(C1CCC2C(CCC(CC)C(C)C)C)C)C