| SpectraBase Compound ID | 3p1mL5nlmgY |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-19(2)20-10-13-29(7)23(27(20,5)12-11-24(31)32)9-8-21-22-18-26(3,4)14-16-30(22,25(33)34)17-15-28(21,29)6/h8,19-20,22-23H,9-18H2,1-7H3,(H,31,32)(H,33,34)/t20?,22?,23?,27-,28+,29+,30-/m0/s1 |
| InChIKey | NQCJFEBTNHJJIB-FQANCPSYSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJYnauATXGu |
|---|---|
| Name | 3,4-SECO-OLEAN-12-ENE-3,28-DIOIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-19(2)20-10-13-29(7)23(27(20,5)12-11-24(31)32)9-8-21-22-18-26(3,4)14-16-30(22,25(33)34)17-15-28(21,29)6/h8,19-20,22-23H,9-18H2,1-7H3,(H,31,32)(H,33,34)/t20?,22?,23?,27-,28+,29+,30-/m0/s1 |
| InChIKey | NQCJFEBTNHJJIB-FQANCPSYSA-N |
| Literature Reference Author | C.G.CALDWELL,S.G.FRANZBLAU,E.SUAREZ,B.N.TIMMERMANN |
| Literature Reference Citation | J.NAT.PROD.,63,1611(2000) |
| Literature Reference DOI | 10.1021/np0002233 |
| Molecular Weight | 472.709 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWRU2303 |