| SpectraBase Compound ID | 4dgU6onzXGX |
|---|---|
| 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+/m0/s1 |
| InChIKey | NXKBQUXBPMOHPK-YYWDGDAYSA-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 | vOCdh4Wvlo |
|---|---|
| Name | ABUTASTERONE |
| Compound Number | 7 |
| 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+/m0/s1 |
| InChIKey | NXKBQUXBPMOHPK-YYWDGDAYSA-N |
| Literature Reference Author | A.SUKSAMRARN,N.PROMRANGSAN,B.CHITKUL,S.HOMVISASEVONGSA,A.SIR IKATE |
| Literature Reference Citation | PHYTOCHEM.,45,1149(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00102-7 |
| Molecular Weight | 496.642 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP482 |