| SpectraBase Compound ID | IbJMmIIVH9o |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-17(16-31)18-9-12-30(25(34)35)14-13-28(5)19(23(18)30)7-8-21-27(4)11-10-22(33)26(2,3)24(27)20(32)15-29(21,28)6/h18-24,31-33H,1,7-16H2,2-6H3,(H,34,35)/t18-,19+,20+,21+,22-,23+,24-,27+,28+,29+,30-/m0/s1 |
| InChIKey | QLCKDDHORKYRRO-QANNAOIQSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rX2E2U9akc |
|---|---|
| Name | 3-BETA,6-BETA,30-TRIHYDROXY-20(29)-LUPEN-28-OIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-17(16-31)18-9-12-30(25(34)35)14-13-28(5)19(23(18)30)7-8-21-27(4)11-10-22(33)26(2,3)24(27)20(32)15-29(21,28)6/h18-24,31-33H,1,7-16H2,2-6H3,(H,34,35)/t18-,19+,20+,21+,22-,23+,24-,27+,28+,29+,30-/m0/s1 |
| InChIKey | QLCKDDHORKYRRO-QANNAOIQSA-N |
| Literature Reference Author | O.ESTRADA,W.CONTRERAS,G.ACHA,E.LUCENA,W.VENTURINI,A.CARDOZO, C.ALVARADO-CASTILLO |
| Literature Reference Citation | MOLECULES,19,21215(2014) |
| Literature Reference DOI | 10.3390/molecules191221215 |
| Molecular Weight | 488.708 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU81660 |