| SpectraBase Compound ID | 6hqtpX8E9fm |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,12,15-16,21-22H,5-8,10-11H2,1-4H3/t15-,16-,19-,20-/m1/s1 |
| InChIKey | RGROGZCBGZBCAG-XNFNUYLZSA-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 | 7S9P9PKPWEw |
|---|---|
| Name | Cyathin A3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,12,15-16,21-22H,5-8,10-11H2,1-4H3/t15-,16-,19-,20-/m1/s1 |
| InChIKey | RGROGZCBGZBCAG-XNFNUYLZSA-N |
| Literature Reference DOI | 10.1021/ol070994z |
| Molecular Weight | 318.457 g/mol |
| SMILES | OCC1=CC([C@@]2(CC[C@]3(CCC(=C3[C@]2(C[C@]1(O)[H])[H])C(C)C)C)C)=O |
| SPLASH | splash10-014i-9101000000-a244d6ce1d3b6434c19d |
| Source of Spectrum | A1-9-2843/SMS12-2 |
| Synonyms | (3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-1-isopropyl-3a,5a-dimethyl-2,3,3a,4,5,5a,10,10a-octahydrocyclohepta[e]inden-6(9H)-one (3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one (3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-1-isopropyl-3a,5a-dimethyl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one (3aR,5aR,9R,10aR)-8-(hydroxymethyl)-3a,5a-dimethyl-9-oxidanyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one |
| Wiley ID | 1758269 |