| SpectraBase Compound ID | 3LGDcSQaMTm |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-20(33)36-24-11-12-29(7)22(27(24,4)5)10-13-31(9)25(29)21(34)18-23-30(31,8)17-16-28(6)15-14-26(2,3)19-32(23,28)37-35/h18,22,24-25,35H,10-17,19H2,1-9H3/t22?,24-,25?,28+,29-,30+,31+,32?/m0/s1 |
| InChIKey | IFOAOMXLDNSULJ-BWSHJEDASA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H50O5 |
| Exact Mass | 514.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYxEGEQmd0l |
|---|---|
| Name | 3-BETA-ACETOXY-18-ALPHA-HYDROPEROXY-12-OLEANEN-11-ONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-20(33)36-24-11-12-29(7)22(27(24,4)5)10-13-31(9)25(29)21(34)18-23-30(31,8)17-16-28(6)15-14-26(2,3)19-32(23,28)37-35/h18,22,24-25,35H,10-17,19H2,1-9H3/t22?,24-,25?,28+,29-,30+,31+,32?/m0/s1 |
| InChIKey | IFOAOMXLDNSULJ-BWSHJEDASA-N |
| Literature Reference Author | Y.M.CHIANG,Y.H.KUO |
| Literature Reference Citation | J.NAT.PROD.,64,436(2001) |
| Literature Reference DOI | 10.1021/np0004808 |
| Molecular Weight | 514.746 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9329 |