| SpectraBase Compound ID | J2gbOV4Q56l |
|---|---|
| InChI | InChI=1S/C31H52O/c1-20(2)21-12-15-28(5)18-19-30(7)22(26(21)28)10-11-24-29(6)16-14-25(32-9)27(3,4)23(29)13-17-31(24,30)8/h21-26H,1,10-19H2,2-9H3/t21-,22+,23-,24+,25-,26+,28+,29-,30+,31+/m0/s1 |
| InChIKey | KZKFBEQAUKRRAG-VOAUEXJWSA-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 | 5yzKCRPsoQU |
|---|---|
| Name | LUPEOL,3-METHYLETHER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O |
| InChI | InChI=1S/C31H52O/c1-20(2)21-12-15-28(5)18-19-30(7)22(26(21)28)10-11-24-29(6)16-14-25(32-9)27(3,4)23(29)13-17-31(24,30)8/h21-26H,1,10-19H2,2-9H3/t21-,22+,23-,24+,25-,26+,28+,29-,30+,31+/m0/s1 |
| InChIKey | KZKFBEQAUKRRAG-VOAUEXJWSA-N |
| Literature Reference Author | J.W.BLUNT,M.H.G.MUNRO |
| Literature Reference Citation | ORG.MAGN.RES.,13,26(1980) |
| Literature Reference DOI | 10.1002/mrc.1270130106 |
| Molecular Weight | 440.753 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW3886 |