| SpectraBase Compound ID | IS8LL2S2RBs |
|---|---|
| InChI | InChI=1S/C46H82O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(47)49-38-26-27-43(7)35(41(38,4)5)24-28-44(8)36(43)25-29-46(48)37-34-40(2,3)30-31-42(37,6)32-33-45(44,46)9/h35-38,48H,10-34H2,1-9H3/t35?,36?,37-,38+,42-,43+,44-,45+,46+/m1/s1 |
| InChIKey | FWTRWEOVLCELMX-RNTJUTMQSA-N |
| Mol Weight | 683.2 g/mol |
| Molecular Formula | C46H82O3 |
| Exact Mass | 682.626396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvQJ1z6LgKc |
|---|---|
| Name | 3-BETA-PALMITYLOXY-13-BETA-HYDROXYOLEANANE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H82O3 |
| InChI | InChI=1S/C46H82O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(47)49-38-26-27-43(7)35(41(38,4)5)24-28-44(8)36(43)25-29-46(48)37-34-40(2,3)30-31-42(37,6)32-33-45(44,46)9/h35-38,48H,10-34H2,1-9H3/t35?,36?,37-,38+,42-,43+,44-,45+,46+/m1/s1 |
| InChIKey | FWTRWEOVLCELMX-RNTJUTMQSA-N |
| Literature Reference Author | X.BABADY-BYLA,W.HERZ |
| Literature Reference Citation | PHYTOCHEM.,42,501(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00944-2 |
| Molecular Weight | 683.155 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3370 |