| SpectraBase Compound ID | 1zBr2tX03KP |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h19,21-22,25-27,29H,3,9-18H2,1-2,4-8H3/t21-,22+,25-,26+,27-,29+,30-,31+/m1/s1 |
| InChIKey | RNXCGPIFSGPWOB-XNROWVIISA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tJRQxBahQb |
|---|---|
| Name | TRITICUSTEROL-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h19,21-22,25-27,29H,3,9-18H2,1-2,4-8H3/t21-,22+,25-,26+,27-,29+,30-,31+/m1/s1 |
| InChIKey | RNXCGPIFSGPWOB-XNROWVIISA-N |
| Literature Reference Author | T.AKIHISA,W.C.M.C.KOKKE,K.KOIKE,Y.KIMURA,C.MIZUKAMI,A.SADAIE ,T.MARUYAMA,T.NIKAID |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,497(1999) |
| Literature Reference DOI | 10.1039/a808508k |
| Molecular Weight | 454.737 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWGE3377 |