| SpectraBase Compound ID | BUxNS9lijhQ |
|---|---|
| InChI | InChI=1S/C31H52O4/c1-19(35-33)21-11-14-28(5)17-18-30(7)22(26(21)28)9-10-24-29(6)15-13-25(34-20(2)32)27(3,4)23(29)12-16-31(24,30)8/h19,21-26,33H,9-18H2,1-8H3/t19-,21-,22?,23?,24?,25-,26?,28+,29-,30+,31+/m0/s1 |
| InChIKey | KHDIRIGQBDNIRR-MLWMKVCNSA-N |
| Mol Weight | 488.8 g/mol |
| Molecular Formula | C31H52O4 |
| Exact Mass | 488.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2dY1jY5d0Co |
|---|---|
| Name | (20S)-3-BETA-ACETOXY-20-HYDROPEROXY-30-NORLUPANE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O4 |
| InChI | InChI=1S/C31H52O4/c1-19(35-33)21-11-14-28(5)17-18-30(7)22(26(21)28)9-10-24-29(6)15-13-25(34-20(2)32)27(3,4)23(29)12-16-31(24,30)8/h19,21-26,33H,9-18H2,1-8H3/t19-,21-,22?,23?,24?,25-,26?,28+,29-,30+,31+/m0/s1 |
| InChIKey | KHDIRIGQBDNIRR-MLWMKVCNSA-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 | 488.751 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9328 |