| SpectraBase Compound ID | 3oVHYl6xE5I |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-11(2)6-9-17(21)14(5)16-10-18(22)13(4)15-8-7-12(3)19(15)20(16)23/h6-7,14-23H,4,8-10H2,1-3,5H3/t14?,15-,16-,17?,18+,19+,20+/m0/s1 |
| InChIKey | QTQJXLVBOFJYKO-KNXWGQIOSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6gsbE0f1eWu |
|---|---|
| Name | Monoacetyl- Dictyotrol - A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-11(2)6-9-17(21)14(5)16-10-18(22)13(4)15-8-7-12(3)19(15)20(16)23/h6-7,14-23H,4,8-10H2,1-3,5H3/t14?,15-,16-,17?,18+,19+,20+/m0/s1 |
| InChIKey | QTQJXLVBOFJYKO-KNXWGQIOSA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | OC(C([C@]1([C@]([C@]2([C@](C([C@@](C1)(O)[H])=C)(CC=C2C)[H])[H])(O)[H])[H])C)CC=C(C)C |
| SPLASH | splash10-0a4i-0931000000-fb455402978107d099a2 |
| Source of Spectrum | X2-50-967-8 |
| Synonyms | (3aS,4R,5S,7R,8aR)-5-(3-hydroxy-6-methylhept-5-en-2-yl)-3-methyl-8-methylene-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,7-diol (3aS,4R,5S,7R,8aR)-5-(3-hydroxy-6-methylhept-5-en-2-yl)-3-methyl-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,7-diol (3aS,4R,5S,7R,8aR)-3-methyl-8-methylidene-5-(6-methyl-3-oxidanyl-hept-5-en-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,7-diol |
| Wiley ID | 1602453 |