| SpectraBase Compound ID | 5rDTzot86sU |
|---|---|
| InChI | InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26?,27-,30?,31+,32?,34+,36?,37+,38+,39-/m0/s1 |
| InChIKey | VOQSZICWRNPAMF-CIBMBJQPSA-N |
| Mol Weight | 604.9 g/mol |
| Molecular Formula | C39H56O5 |
| Exact Mass | 604.412775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 60IZpwOzWUv |
|---|---|
| Name | Lup-20(29)-en-28-ol-3.beta.-yl-caffeate |
| CAS Registry Number | 89130-86-9 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H56O5 |
| InChI | InChI=1S/C39H56O5/c1-24(2)26-14-19-39(23-40)21-20-37(6)27(34(26)39)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-9,11,13,22,26-27,30-32,34,40-42H,1,10,12,14-21,23H2,2-7H3/b13-9+/t26?,27-,30?,31+,32?,34+,36?,37+,38+,39-/m0/s1 |
| InChIKey | VOQSZICWRNPAMF-CIBMBJQPSA-N |
| Instrument Name | SF = 300 MHz |
| Literature Reference | J. Nat. Products 51, 217 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |