| SpectraBase Compound ID | JdSSSxyJImC |
|---|---|
| InChI | InChI=1S/C38H66O2/c1-10-11-12-13-14-20-35(39)40-27-16-19-33-31(29(4)5)21-22-34-36(33,7)25-26-37(8)32(23-24-38(34,37)9)30(6)18-15-17-28(2)3/h17,30,32-34H,10-16,18-27H2,1-9H3/t30?,32-,33+,34-,36?,37?,38?/m0/s1 |
| InChIKey | AFZHQMQGUKDWSJ-VSBVOIHLSA-N |
| Mol Weight | 554.9 g/mol |
| Molecular Formula | C38H66O2 |
| Exact Mass | 554.506281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1cBNiBooie8 |
|---|---|
| Name | HELIANYL-OCTANOATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H66O2 |
| InChI | InChI=1S/C38H66O2/c1-10-11-12-13-14-20-35(39)40-27-16-19-33-31(29(4)5)21-22-34-36(33,7)25-26-37(8)32(23-24-38(34,37)9)30(6)18-15-17-28(2)3/h17,30,32-34H,10-16,18-27H2,1-9H3/t30?,32-,33+,34-,36?,37?,38?/m0/s1 |
| InChIKey | AFZHQMQGUKDWSJ-VSBVOIHLSA-N |
| Literature Reference Author | S.SCHULZ,C.ARSENE,M.TAUBER,J.N.MCNEIL |
| Literature Reference Citation | PHYTOCHEM.,54,325(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00089-3 |
| Molecular Weight | 554.941 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1279 |