| SpectraBase Compound ID | 9dMd09xm2TP |
|---|---|
| InChI | InChI=1S/C49H64O2/c1-34(2)38-25-30-48(51-33-49(35-17-11-8-12-18-35,36-19-13-9-14-20-36)37-21-15-10-16-22-37)32-31-46(6)39(43(38)48)23-24-41-45(5)28-27-42(50)44(3,4)40(45)26-29-47(41,46)7/h8-22,38-43,50H,1,23-33H2,2-7H3/t38-,39+,40-,41+,42-,43?,45-,46+,47+,48-/m0/s1 |
| InChIKey | IGOSGMFBHHRILC-NJZGBGOYSA-N |
| Mol Weight | 685.0 g/mol |
| Molecular Formula | C49H64O2 |
| Exact Mass | 684.490631 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQAiuN7gUI4 |
|---|---|
| Name | 28-O-TRITYL-BETULIN;28-O-TRITYL-LUP-20(29)-EN-3-BETA,28-DIOL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H64O2 |
| InChI | InChI=1S/C49H64O2/c1-34(2)38-25-30-48(51-33-49(35-17-11-8-12-18-35,36-19-13-9-14-20-36)37-21-15-10-16-22-37)32-31-46(6)39(43(38)48)23-24-41-45(5)28-27-42(50)44(3,4)40(45)26-29-47(41,46)7/h8-22,38-43,50H,1,23-33H2,2-7H3/t38-,39+,40-,41+,42-,43?,45-,46+,47+,48-/m0/s1 |
| InChIKey | IGOSGMFBHHRILC-NJZGBGOYSA-N |
| Literature Reference Author | K.HATA,K.HORI,S.TAKAHASHI |
| Literature Reference Citation | J.NAT.PROD.,65,645(2002) |
| Literature Reference DOI | 10.1021/np0104673 |
| Molecular Weight | 685.046 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI4131 |