| SpectraBase Compound ID | Gc7ENmK0Iyj |
|---|---|
| InChI | InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)25-14-15-27-24-12-13-26-22(5)29(32-8)17-19-31(26,7)28(24)16-18-30(25,27)6/h20-21,23,25-26,28-29H,5,9-19H2,1-4,6-8H3/t21-,23+,25-,26+,28+,29+,30-,31+/m1/s1 |
| InChIKey | HCORHFYPWAAMBW-BHFUKBDUSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMFfCWPslp8 |
|---|---|
| Name | 3-BETA-O-METHYL-THEONELLASTEROL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O |
| InChI | InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)25-14-15-27-24-12-13-26-22(5)29(32-8)17-19-31(26,7)28(24)16-18-30(25,27)6/h20-21,23,25-26,28-29H,5,9-19H2,1-4,6-8H3/t21-,23+,25-,26+,28+,29+,30-,31+/m1/s1 |
| InChIKey | HCORHFYPWAAMBW-BHFUKBDUSA-N |
| Literature Reference Author | V.SEPE,R.UMMARINO,M.V.D.AURIA,O.TAGLIALATELA-SCAFATI,S.D.MAR INO,C.D.AMORE |
| Literature Reference Citation | MAR.DRUGS,10,2448(2012) |
| Literature Reference DOI | 10.3390/md10112448 |
| Molecular Weight | 440.753 g/mol |
| Source File Reference | UWIR6053 |