| SpectraBase Compound ID | CmJE0rCBQO8 |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-8-21(35)17-28(36)37-27-18-26-30(5)15-10-14-29(4,9-2)24(30)13-16-31(26,6)25-12-11-22(20(3)34)23(19-33)32(25,27)7/h11,19,21,23-27,35H,8-10,12-18H2,1-7H3/t21?,23-,24-,25-,26+,27-,29-,30-,31-,32+/m0/s1 |
| InChIKey | KHCOVAFNKBMRMR-NJJDGVFZSA-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 | 8eLJQLN96y3 |
|---|---|
| Name | 12-ALPHA-(3R'-HYDROXYPENTANOYLOXY)-20,24-DIMETHYL-24-OXOSCALAR-16-EN-25-AL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-8-21(35)17-28(36)37-27-18-26-30(5)15-10-14-29(4,9-2)24(30)13-16-31(26,6)25-12-11-22(20(3)34)23(19-33)32(25,27)7/h11,19,21,23-27,35H,8-10,12-18H2,1-7H3/t21?,23-,24-,25-,26+,27-,29-,30-,31-,32+/m0/s1 |
| InChIKey | KHCOVAFNKBMRMR-NJJDGVFZSA-N |
| Literature Reference Author | B.F.BOWDEN,J.C.COLL,H.LI,R.C.CAMBIE,M.R.KERNAN,P.R.BERGQUIST |
| Literature Reference Citation | J.NAT.PROD.,55,1234(1992) |
| Literature Reference DOI | 10.1021/np50087a009 |
| Molecular Weight | 514.746 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS558 |