| SpectraBase Compound ID | Ekxp2drThTt |
|---|---|
| InChI | InChI=1S/C27H44O8/c1-23(2,33)21(31)12-22(32)26(5,34)20-7-9-27(35)15-10-17(28)16-11-18(29)19(30)13-24(16,3)14(15)6-8-25(20,27)4/h10,14,16,18-22,29-35H,6-9,11-13H2,1-5H3/t14?,16-,18-,19+,20+,21?,22-,24-,25-,26+,27-/m1/s1 |
| InChIKey | NXKBQUXBPMOHPK-KYHIOGLLSA-N |
| Mol Weight | 496.6 g/mol |
| Molecular Formula | C27H44O8 |
| Exact Mass | 496.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUIZ2RQpp9m |
|---|---|
| Name | ABUTASTERONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O8 |
| InChI | InChI=1S/C27H44O8/c1-23(2,33)21(31)12-22(32)26(5,34)20-7-9-27(35)15-10-17(28)16-11-18(29)19(30)13-24(16,3)14(15)6-8-25(20,27)4/h10,14,16,18-22,29-35H,6-9,11-13H2,1-5H3/t14?,16-,18-,19+,20+,21?,22-,24-,25-,26+,27-/m1/s1 |
| InChIKey | NXKBQUXBPMOHPK-KYHIOGLLSA-N |
| Literature Reference Author | M.ZHANG,M.J.STOUT,I.KUBO |
| Literature Reference Citation | PHYTOCHEM.,31,247(1992) |
| Literature Reference DOI | 10.1016/0031-9422(91)83046-N |
| Molecular Weight | 496.642 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5289 |