| SpectraBase Compound ID | BsRQrcAJbcT |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h20-21,24,26-27,29-30H,5,9-19H2,1-4,6-8H3/t21-,24+,26-,27+,29+,30+,31-,32+/m1/s1 |
| InChIKey | JLSWPWUBFIKCCQ-JNVQAEFZSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H52O2 |
| Exact Mass | 468.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tSU5B2yxaG |
|---|---|
| Name | 3-BETA-O-ACETYL-THEONELLASTEROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h20-21,24,26-27,29-30H,5,9-19H2,1-4,6-8H3/t21-,24+,26-,27+,29+,30+,31-,32+/m1/s1 |
| InChIKey | JLSWPWUBFIKCCQ-JNVQAEFZSA-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 | 468.764 g/mol |
| Source File Reference | UWIR6054 |