| SpectraBase Compound ID | 7LVZVlBqBVt |
|---|---|
| InChI | InChI=1S/C32H52O6/c1-27(2)18-21-20-10-11-23-29(5,14-13-25(34)37-8)22(28(3,4)36)12-15-31(23,7)30(20,6)16-17-32(21,19-24(27)33)26(35)38-9/h10,21-24,33,36H,11-19H2,1-9H3/t21-,22-,23?,24-,29-,30+,31+,32+/m0/s1 |
| InChIKey | ZXSOLOOSAMSLCK-YQYYFMOYSA-N |
| Mol Weight | 532.8 g/mol |
| Molecular Formula | C32H52O6 |
| Exact Mass | 532.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DxtuLRi3rez |
|---|---|
| Name | METHYL-3,4-SECO-OLEAN-12-EN-4,21-BETA-DIOL-3,28-DIOATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O6 |
| InChI | InChI=1S/C32H52O6/c1-27(2)18-21-20-10-11-23-29(5,14-13-25(34)37-8)22(28(3,4)36)12-15-31(23,7)30(20,6)16-17-32(21,19-24(27)33)26(35)38-9/h10,21-24,33,36H,11-19H2,1-9H3/t21-,22-,23?,24-,29-,30+,31+,32+/m0/s1 |
| InChIKey | ZXSOLOOSAMSLCK-YQYYFMOYSA-N |
| Literature Reference Author | N.SHIRANE,Y.HASHIMOTO,K.UEDA,H.TAKENAKA,K.KATOH |
| Literature Reference Citation | PHYTOCHEM.,43,99(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00266-X |
| Molecular Weight | 532.761 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1889 |