| SpectraBase Compound ID | 3EHLOmApGuI |
|---|---|
| InChI | InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25-,27+,28-,29+/m1/s1 |
| InChIKey | QLDNWJOJCDIMKK-WHEMHEAOSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5zakI7R3Ykq |
|---|---|
| Name | TRITICUSTEROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25-,27+,28-,29+/m1/s1 |
| InChIKey | QLDNWJOJCDIMKK-WHEMHEAOSA-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 | 412.700 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWGE3375 |