| SpectraBase Compound ID | 90jlocpvo3Q |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-17(22-14-18(22)2)10-13-28(4,32)25-9-8-23-21-7-6-19-15-20(30)11-12-27(19,3)24(21)16-26(31)29(23,25)5/h17-19,21-26,31-32H,6-16H2,1-5H3/t17-,18?,19+,21+,22+,23+,24+,25-,26-,27+,28?,29+/m1/s1 |
| InChIKey | JSHYQWPIKGSRNU-HWQQIDONSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Q429fzM9W7 |
|---|---|
| Name | ARAGUSTEROL-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-17(22-14-18(22)2)10-13-28(4,32)25-9-8-23-21-7-6-19-15-20(30)11-12-27(19,3)24(21)16-26(31)29(23,25)5/h17-19,21-26,31-32H,6-16H2,1-5H3/t17-,18?,19+,21+,22+,23+,24+,25-,26-,27+,28?,29+/m1/s1 |
| InChIKey | JSHYQWPIKGSRNU-HWQQIDONSA-N |
| Literature Reference Author | K.IGUCHI,H.SHIMURA,S.TAIRA,C.YOKOO,K.MATSUMOTO,Y.YAMADA |
| Literature Reference Citation | J.ORG.CHEM.,59,7499(1994) |
| Literature Reference DOI | 10.1021/jo00103a053 |
| Molecular Weight | 444.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8353 |