| SpectraBase Compound ID | BOUPg8rLX6l |
|---|---|
| InChI | InChI=1S/C41H60O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h9,21-22,28-38H,10-20H2,1-8H3/t21?,22?,28?,29?,30?,31?,32?,33-,34?,35+,36-,37+,38?,39?,40?,41?/m1/s1 |
| InChIKey | PXJXBGMLNYZYPK-QTKFCNPNSA-N |
| Mol Weight | 744.9 g/mol |
| Molecular Formula | C41H60O12 |
| Exact Mass | 744.408477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhvandSgVdn |
|---|---|
| Name | Trillin acetate |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C41H60O12 |
| InChI | InChI=1S/C41H60O12/c1-21-11-16-41(47-19-21)22(2)34-32(53-41)18-31-29-10-9-27-17-28(12-14-39(27,7)30(29)13-15-40(31,34)8)51-38-37(50-26(6)45)36(49-25(5)44)35(48-24(4)43)33(52-38)20-46-23(3)42/h9,21-22,28-38H,10-20H2,1-8H3/t21?,22?,28?,29?,30?,31?,32?,33-,34?,35+,36-,37+,38?,39?,40?,41?/m1/s1 |
| InChIKey | PXJXBGMLNYZYPK-QTKFCNPNSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | O. Espejo, J. Llavot, Phytochem. 21, 413 (1982). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |