| SpectraBase Compound ID | 6OdrdSHFMGv |
|---|---|
| InChI | InChI=1S/C42H72O3/c1-9-10-11-12-13-14-15-16-17-20-36(43)45-35-24-27-41-30-42(41)29-28-39(7)32(31(2)19-18-25-37(3,4)44)23-26-40(39,8)34(42)22-21-33(41)38(35,5)6/h18,25,31-35,44H,9-17,19-24,26-30H2,1-8H3/b25-18+/t31-,32-,33?,34?,35+,39-,40+,41-,42+/m1/s1 |
| InChIKey | BIRNPJCAAKNGGH-LZPDINFVSA-N |
| Mol Weight | 625.0 g/mol |
| Molecular Formula | C42H72O3 |
| Exact Mass | 624.548146 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4RbOXP0lN |
|---|---|
| Name | 3-O-BETA-LAUROYLCYClOART-(23E)-ENE-25-OL |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O3 |
| InChI | InChI=1S/C42H72O3/c1-9-10-11-12-13-14-15-16-17-20-36(43)45-35-24-27-41-30-42(41)29-28-39(7)32(31(2)19-18-25-37(3,4)44)23-26-40(39,8)34(42)22-21-33(41)38(35,5)6/h18,25,31-35,44H,9-17,19-24,26-30H2,1-8H3/b25-18+/t31-,32-,33?,34?,35+,39-,40+,41-,42+/m1/s1 |
| InChIKey | BIRNPJCAAKNGGH-LZPDINFVSA-N |
| Literature Reference Author | G.M.WOLDEMICHAEL,M.T.GUTIERREZ-LUGO,S.G.FRANZBLAU,Y.WANG,E.S UAREZ,B.N.TIMMERMANN |
| Literature Reference Citation | J.NAT.PROD.,67,598(2004) |
| Literature Reference DOI | 10.1021/np0303411 |
| Molecular Weight | 625.032 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWMZ7097 |