| SpectraBase Compound ID | 8hSnOYBrusW |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,18+,20+/m0/s1 |
| InChIKey | YQESGDRIAQDEQE-KETKXCOSSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4CnGszNfrHz |
|---|---|
| Name | Phytocassane C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,18+,20+/m0/s1 |
| InChIKey | YQESGDRIAQDEQE-KETKXCOSSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | O[C@@]1(C[C@@](C([C@@]2(CC[C@@]3([C@@]([C@@]12C)(C(C=C([C@@]3(C)[H])C=C)=O)[H])[H])[H])(C)C)(O)[H])[H] |
| SPLASH | splash10-0554-5910000000-45f8011c8594969b2798 |
| Source of Spectrum | F-51-7916-3 |
| Synonyms | (1R,4aS,4bS,5R,7S,8aS,10aS)-2-ethenyl-5,7-dihydroxy-1,4b,8,8-tetramethyl-4a,5,6,7,8a,9,10,10a-octahydro-1H-phenanthren-4-one (1R,4aS,4bS,5R,7S,8aS,10aS)-2-ethenyl-1,4b,8,8-tetramethyl-5,7-bis(oxidanyl)-4a,5,6,7,8a,9,10,10a-octahydro-1H-phenanthren-4-one |
| Wiley ID | 792636 |