| SpectraBase Compound ID | LlObzlmSRqH |
|---|---|
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37-,38+,39-,41-,43+,44-,45+,46+/m0/s1 |
| InChIKey | BHPGRVQWTLDDQX-XSPYDTJOSA-N |
| Mol Weight | 665.1 g/mol |
| Molecular Formula | C46H80O2 |
| Exact Mass | 664.615832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtR1uj6sjNO |
|---|---|
| Name | 3-BETA-HYDROXY-12-URSEN-3-YL-PALMITATE;R=CH3(CH2)14CO |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O2 |
| InChI | InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-28-30-44(7)37(42(39,4)5)27-31-46(9)38(44)25-24-36-41-35(3)34(2)26-29-43(41,6)32-33-45(36,46)8/h24,34-35,37-39,41H,10-23,25-33H2,1-9H3/t34-,35+,37-,38+,39-,41-,43+,44-,45+,46+/m0/s1 |
| InChIKey | BHPGRVQWTLDDQX-XSPYDTJOSA-N |
| Literature Reference Author | J.M.DAVID,F.A.SANTOS,M.L.D.S.GUEDES,J.P.DAVID |
| Literature Reference Citation | QUIM.NOVA,26,484(2003) |
| Literature Reference DOI | 10.1590/s0100-40422003000400007 |
| Molecular Weight | 665.140 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT12295 |