| SpectraBase Compound ID | 3DWKGcICWN5 |
|---|---|
| InChI | InChI=1S/C40H56O7/c1-24-14-19-40(35(44)45)21-20-38(5)27(34(40)25(24)2)10-12-31-36(3)17-16-32(42)37(4,30(36)15-18-39(31,38)6)23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,25-,30?,31-,32?,34-,36?,37?,38-,39+,40-/m1/s1 |
| InChIKey | VXDVEQQZHDXFGF-NFZSBLMCSA-N |
| Mol Weight | 648.9 g/mol |
| Molecular Formula | C40H56O7 |
| Exact Mass | 648.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lHyj1hhKnq |
|---|---|
| Name | 3.beta.-Hydroxy-24-cis-ferulyloxy-urs-12-en-28-oic-acid |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H56O7 |
| InChI | InChI=1S/C40H56O7/c1-24-14-19-40(35(44)45)21-20-38(5)27(34(40)25(24)2)10-12-31-36(3)17-16-32(42)37(4,30(36)15-18-39(31,38)6)23-47-33(43)13-9-26-8-11-28(41)29(22-26)46-7/h8-11,13,22,24-25,30-32,34,41-42H,12,14-21,23H2,1-7H3,(H,44,45)/b13-9+/t24-,25-,30?,31-,32?,34-,36?,37?,38-,39+,40-/m1/s1 |
| InChIKey | VXDVEQQZHDXFGF-NFZSBLMCSA-N |
| Instrument Name | SF = 360 MHz |
| Literature Reference | J. Nat. Products 50, 63 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |