| SpectraBase Compound ID | HTC1bD65jMn |
|---|---|
| InChI | InChI=1S/C50H88O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-38(51)36-44(52)53-43-27-26-41-40(46(43,4)5)30-33-50(9)48(41,7)32-29-42-45-39(37(2)3)28-31-47(45,6)34-35-49(42,50)8/h38-43,45,51H,2,10-36H2,1,3-9H3/t38?,39-,40+,41-,42+,43-,45+,47+,48-,49+,50+/m0/s1 |
| InChIKey | XKKMZWJZRSLNKR-JSZALBKCSA-N |
| Mol Weight | 737.3 g/mol |
| Molecular Formula | C50H88O3 |
| Exact Mass | 736.673347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmrqFGVyPdC |
|---|---|
| Name | 3-O-(3'-HYDROXYEICOSANOYL)-LUPEOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H88O3 |
| InChI | InChI=1S/C50H88O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-38(51)36-44(52)53-43-27-26-41-40(46(43,4)5)30-33-50(9)48(41,7)32-29-42-45-39(37(2)3)28-31-47(45,6)34-35-49(42,50)8/h38-43,45,51H,2,10-36H2,1,3-9H3/t38?,39-,40+,41-,42+,43-,45+,47+,48-,49+,50+/m0/s1 |
| InChIKey | XKKMZWJZRSLNKR-JSZALBKCSA-N |
| Literature Reference Author | J.FOTIE,D.S.BOHLE,M.L.LEIMANIS,E.GEORGES,G.RUKUNGA,A.E.NKENG FACK |
| Literature Reference Citation | J.NAT.PROD.,69,62(2006) |
| Literature Reference DOI | 10.1021/np050315y |
| Molecular Weight | 737.247 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ16822 |