![(1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-3,8,12-trimethyl-5-propan-2-yl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione](/api/spectrum/GcYPpNJ23oW/structure.png?h=300&w=458 "(1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-3,8,12-trimethyl-5-propan-2-yl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione")
| SpectraBase Compound ID | 1JwEPAnEpx7 |
|---|---|
| InChI | InChI=1S/C20H32O5/c1-11(2)14-7-6-12(3)8-13(21)9-19(4,24)16-15(22)10-20(5,25)17(16)18(14)23/h8,11,14-17,22,24-25H,6-7,9-10H2,1-5H3/b12-8-/t14-,15+,16-,17-,19+,20-/m0/s1 |
| InChIKey | NVOWAVFZSKWQPR-DYKTZABPSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C20H32O5 |
| Exact Mass | 352.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GcYPpNJ23oW |
|---|---|
| Name | (1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-3,8,12-trimethyl-5-propan-2-yl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O5 |
| InChI | InChI=1S/C20H32O5/c1-11(2)14-7-6-12(3)8-13(21)9-19(4,24)16-15(22)10-20(5,25)17(16)18(14)23/h8,11,14-17,22,24-25H,6-7,9-10H2,1-5H3/b12-8-/t14-,15+,16-,17-,19+,20-/m0/s1 |
| InChIKey | NVOWAVFZSKWQPR-DYKTZABPSA-N |
| Molecular Weight | 352.471 g/mol |
| SMILES | O[C@]1([C@@]2([C@@](CC(\C=C/(CC[C@](C([C@]2([C@](C1)(O)C)[H])=O)(C(C)C)[H])C)=O)(O)C)[H])[H] |
| SPLASH | splash10-0006-9200000000-b21e8e78132a868cecdd |
| Source of Spectrum | SB-46-370-1 |
| Synonyms | (1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-5-isopropyl-3,8,12-trimethyl-1,2,3a,5,6,7,11,12a-octahydrocyclopentacycloundecene-4,10-quinone (1R,3S,3aR,5S,8Z,12R,12aR)-1,3,12-trihydroxy-5-isopropyl-3,8,12-trimethyl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione (1R,3S,3aR,5S,8Z,12R,12aR)-3,8,12-trimethyl-1,3,12-tris(oxidanyl)-5-propan-2-yl-1,2,3a,5,6,7,11,12a-octahydrocyclopenta[11]annulene-4,10-dione |
| Wiley ID | 1343329 |