| SpectraBase Compound ID | JsiHOQYjdv2 |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-16(2)17(3)10-11-18(4)20-12-13-21-19-14-23(29)22-8-7-9-25(31)28(22,6)26(19)24(30)15-27(20,21)5/h7-9,16-21,23-24,26,29-30H,10-15H2,1-6H3/t17-,18+,19-,20+,21-,23+,24+,26+,27+,28+/m0/s1 |
| InChIKey | RYMHLKHGLSCOPD-BONNHHEPSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7OPlTKNd1jF |
|---|---|
| Name | Stoloniferone E |
| Appearance | amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-16(2)17(3)10-11-18(4)20-12-13-21-19-14-23(29)22-8-7-9-25(31)28(22,6)26(19)24(30)15-27(20,21)5/h7-9,16-21,23-24,26,29-30H,10-15H2,1-6H3/t17-,18+,19-,20+,21-,23+,24+,26+,27+,28+/m0/s1 |
| InChIKey | RYMHLKHGLSCOPD-BONNHHEPSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0201873 |
| Molecular Weight | 428.657 g/mol |
| Optical Rotation | [a]D25 = +10.0 (c = 0.05, CHCl3) |
| Reported Formula | C28H44O3 |
| SMILES | O[C@@]1(C[C@]2([C@@]3(CC[C@@]([C@]3(C[C@]([C@@]2([C@]2(C(C=CC=C12)=O)C)[H])(O)[H])C)([C@@](CC[C@](C)(C(C)C)[H])(C)[H])[H])[H])[H])[H] |
| SPLASH | splash10-0zfr-7910000000-4b48cb2ad4971c2473f4 |
| Source of Spectrum | G4-65-1539-4 |
| Wiley ID | 1883486 |