| SpectraBase Compound ID | Gu0duONYqvr |
|---|---|
| InChI | InChI=1S/C33H52O5/c1-20(2)22-11-16-32(28(36)37-8)17-18-33(19-34)23(27(22)32)9-10-25-30(6)14-13-26(38-21(3)35)29(4,5)24(30)12-15-31(25,33)7/h22-27,34H,1,9-19H2,2-8H3/t22-,23?,24-,25+,26+,27+,30-,31+,32-,33-/m0/s1 |
| InChIKey | XQEGNJRCYISSOX-ICEYDAICSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C33H52O5 |
| Exact Mass | 528.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdS5BoFcllw |
|---|---|
| Name | 3-ALPHA-ACETOXY-27-HYDROXY-LUP-20-(29)-EN-28-OIC-ACID-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O5 |
| InChI | InChI=1S/C33H52O5/c1-20(2)22-11-16-32(28(36)37-8)17-18-33(19-34)23(27(22)32)9-10-25-30(6)14-13-26(38-21(3)35)29(4,5)24(30)12-15-31(25,33)7/h22-27,34H,1,9-19H2,2-8H3/t22-,23?,24-,25+,26+,27+,30-,31+,32-,33-/m0/s1 |
| InChIKey | XQEGNJRCYISSOX-ICEYDAICSA-N |
| Literature Reference Author | Z.Z.MA,Y.HANO,T.NOMURA,Y.J.CHEN |
| Literature Reference Citation | J.NAT.PROD.,63,390(2000) |
| Literature Reference DOI | 10.1021/np990227b |
| Molecular Weight | 528.773 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU1908 |