| SpectraBase Compound ID | 2BRhlqyuGoS |
|---|---|
| InChI | InChI=1S/C29H46O5/c1-25(2)20-9-12-28(5)21(26(20,3)11-10-22(25)32)7-6-18-23-17(19(31)16-30)8-13-29(23,24(33)34)15-14-27(18,28)4/h17-18,20-23,30,32H,6-16H2,1-5H3,(H,33,34)/t17-,18+,20?,21?,22-,23?,26-,27+,28+,29-/m0/s1 |
| InChIKey | BCVWUUFCQPIQEW-CCOCVOCUSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C29H46O5 |
| Exact Mass | 474.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EV3W76yGaJN |
|---|---|
| Name | MESSAGENIC-ACID-I;3-BETA,29-DIHYDROXY-30-NOR-20-OXOLUPAN-28-OIC-ACID |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O5 |
| InChI | InChI=1S/C29H46O5/c1-25(2)20-9-12-28(5)21(26(20,3)11-10-22(25)32)7-6-18-23-17(19(31)16-30)8-13-29(23,24(33)34)15-14-27(18,28)4/h17-18,20-23,30,32H,6-16H2,1-5H3,(H,33,34)/t17-,18+,20?,21?,22-,23?,26-,27+,28+,29-/m0/s1 |
| InChIKey | BCVWUUFCQPIQEW-CCOCVOCUSA-N |
| Literature Reference Author | F.A.MACIAS,A.M.SIMONET,J.C.G.GALINDO,P.C.PACHECO,J.A.SANCHEZ |
| Literature Reference Citation | PHYTOCHEM.,49,709(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00167-8 |
| Molecular Weight | 474.681 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU172 |