| SpectraBase Compound ID | 46l4tREPAyO |
|---|---|
| InChI | InChI=1S/C39H54O5/c1-34(2)23-27-26-14-15-29-36(5)19-18-30(40)35(3,4)28(36)17-20-38(29,7)37(26,6)21-22-39(27,33(42)43)24-31(34)44-32(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-31,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13+/t27-,28?,29?,30?,31?,36?,37-,38?,39+/m1/s1 |
| InChIKey | ORVHJQXVUAOELM-XGIHKFCLSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C39H54O5 |
| Exact Mass | 602.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CStkVUAmWCw |
|---|---|
| Name | 3.beta.-Hydroxy-21.beta.-E-cinnamoyloxyolean-12-en-28-oic-acid |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H54O5 |
| InChI | InChI=1S/C39H54O5/c1-34(2)23-27-26-14-15-29-36(5)19-18-30(40)35(3,4)28(36)17-20-38(29,7)37(26,6)21-22-39(27,33(42)43)24-31(34)44-32(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-31,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13+/t27-,28?,29?,30?,31?,36?,37-,38?,39+/m1/s1 |
| InChIKey | ORVHJQXVUAOELM-XGIHKFCLSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Phytochem. 23, 2289 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |