| SpectraBase Compound ID | HeS8qjmC0bZ |
|---|---|
| InChI | InChI=1S/C44H76O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-38(46)47-37-25-26-41(6)35(40(37,4)5)24-27-43(8)36(41)22-21-34-39-33(32(2)3)23-28-44(39,31-45)30-29-42(34,43)7/h33-37,39,45H,2,9-31H2,1,3-8H3/t33-,34+,35-,36+,37-,39+,41-,42+,43+,44+/m0/s1 |
| InChIKey | WAMROZROEJELDA-MZJNKTBQSA-N |
| Mol Weight | 653.1 g/mol |
| Molecular Formula | C44H76O3 |
| Exact Mass | 652.579446 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlwI9uNY7qj |
|---|---|
| Name | 3-O-MYRISTOLBETULIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H76O3 |
| InChI | InChI=1S/C44H76O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-38(46)47-37-25-26-41(6)35(40(37,4)5)24-27-43(8)36(41)22-21-34-39-33(32(2)3)23-28-44(39,31-45)30-29-42(34,43)7/h33-37,39,45H,2,9-31H2,1,3-8H3/t33-,34+,35-,36+,37-,39+,41-,42+,43+,44+/m0/s1 |
| InChIKey | WAMROZROEJELDA-MZJNKTBQSA-N |
| Literature Reference Author | L.XIONG,M.ZHU,C.ZHU,S.LIN,Y.YANG,J.SHI |
| Literature Reference Citation | J.NAT.PROD.,75,1160(2012) |
| Literature Reference DOI | 10.1021/np300259s |
| Molecular Weight | 653.086 g/mol |
| Sample ID | 41183 |
| Solvent | CDCl3 |