| SpectraBase Compound ID | ATVWJhOjoJv |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-25(2)19-11-17-29(7)21(27(19,5)15-13-23(25)31)9-10-22-28(6)16-14-24(32)26(3,4)20(28)12-18-30(22,29)8/h19-23,31H,9-18H2,1-8H3/t19?,20-,21?,22+,23+,27-,28-,29+,30+/m0/s1 |
| InChIKey | UMMRDVVEAFNJSP-BOEUKGLASA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsnSz4K1uNT |
|---|---|
| Name | 3-ALPHA-HYDROXYGAMMACERAN-21-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-25(2)19-11-17-29(7)21(27(19,5)15-13-23(25)31)9-10-22-28(6)16-14-24(32)26(3,4)20(28)12-18-30(22,29)8/h19-23,31H,9-18H2,1-8H3/t19?,20-,21?,22+,23+,27-,28-,29+,30+/m0/s1 |
| InChIKey | UMMRDVVEAFNJSP-BOEUKGLASA-N |
| Literature Reference Author | R.TANAKA,T.MIZOTA,S.MATSUNAGA |
| Literature Reference Citation | J.NAT.PROD.,57,761(1994) |
| Literature Reference DOI | 10.1021/np50108a012 |
| Molecular Weight | 442.726 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1853 |