| SpectraBase Compound ID | KnipcHzDXOp |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-19(2)20-11-14-30(8)23(28(20,6)13-12-25(32)33)10-9-21-22-17-26(3,4)24(31)18-27(22,5)15-16-29(21,30)7/h9,20,22-23H,1,10-18H2,2-8H3,(H,32,33)/t20-,22-,23+,27-,28-,29+,30+/m0/s1 |
| InChIKey | AJTKLOJWUYFRGX-YBPXSEGBSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fvagi7aJ5YB |
|---|---|
| Name | 21-OXO-3,4-SECO-OLEAN-4(23),12-DIEN-3-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-19(2)20-11-14-30(8)23(28(20,6)13-12-25(32)33)10-9-21-22-17-26(3,4)24(31)18-27(22,5)15-16-29(21,30)7/h9,20,22-23H,1,10-18H2,2-8H3,(H,32,33)/t20-,22-,23+,27-,28-,29+,30+/m0/s1 |
| InChIKey | AJTKLOJWUYFRGX-YBPXSEGBSA-N |
| Literature Reference Author | I.C.PARSONS,A.I.GRAY,C.LAVAUD,G.MASSIOT,P.G.WATERMAN |
| Literature Reference Citation | PHYTOCHEM.,30,1221(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95205-1 |
| Molecular Weight | 454.693 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU34220 |