| SpectraBase Compound ID | EvmNTzlPSLw |
|---|---|
| InChI | InChI=1S/C34H52O6/c1-9-23(39-22(4)37)18-30(38)40-29-19-28-32(6)16-11-15-31(5,10-2)26(32)14-17-33(28,7)27-13-12-24(21(3)36)25(20-35)34(27,29)8/h12,20,23,25-29H,9-11,13-19H2,1-8H3/t23?,25-,26-,27-,28+,29-,31-,32-,33-,34+/m0/s1 |
| InChIKey | YXQALTUBCFEIHY-MFGWCTONSA-N |
| Mol Weight | 556.8 g/mol |
| Molecular Formula | C34H52O6 |
| Exact Mass | 556.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Zqn3d4M0kv |
|---|---|
| Name | 12-ALPHA-(3'-ACETOXYPENTANOYLOXY)-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 | C34H52O6 |
| InChI | InChI=1S/C34H52O6/c1-9-23(39-22(4)37)18-30(38)40-29-19-28-32(6)16-11-15-31(5,10-2)26(32)14-17-33(28,7)27-13-12-24(21(3)36)25(20-35)34(27,29)8/h12,20,23,25-29H,9-11,13-19H2,1-8H3/t23?,25-,26-,27-,28+,29-,31-,32-,33-,34+/m0/s1 |
| InChIKey | YXQALTUBCFEIHY-MFGWCTONSA-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 | 556.783 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS555 |