| SpectraBase Compound ID | BqRmKOAt4ZX |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-19-11-13-27(5)15-16-29(7)21(25(27)20(19)2)9-10-23-28(6,17-24(32)33)22(26(3,4)18-31)12-14-30(23,29)8/h9,18-20,22-23,25H,10-17H2,1-8H3,(H,32,33)/t19-,20+,22+,23-,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | CNGWRHCWQIHNMP-IPQOMUISSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32Gmmx5BBwN |
|---|---|
| Name | 2,3-SECO-3-OXO-URS-12-EN-2-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-19-11-13-27(5)15-16-29(7)21(25(27)20(19)2)9-10-23-28(6,17-24(32)33)22(26(3,4)18-31)12-14-30(23,29)8/h9,18-20,22-23,25H,10-17H2,1-8H3,(H,32,33)/t19-,20+,22+,23-,25+,27-,28+,29-,30-/m1/s1 |
| InChIKey | CNGWRHCWQIHNMP-IPQOMUISSA-N |
| Literature Reference Author | Y.TORIUMI,R.KAKUDA,M.KIKUCHI,Y.YAOITA,M.KIKUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,89(2003) |
| Literature Reference DOI | 10.1248/cpb.51.89 |
| Molecular Weight | 456.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS21055 |