![7-Oxabicyclo[4.1.0]heptane, retinal deriv.](/api/spectrum/G8bSU9PlgXp/structure.png?h=300&w=458 "7-Oxabicyclo[4.1.0]heptane, retinal deriv.")
| SpectraBase Compound ID | 3LF7ppRWgyX |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-15(7-6-8-16(2)10-12-21)9-11-20-18(3,4)13-17(22)14-19(20,5)23-20/h6-12,17,22H,13-14H2,1-5H3/b8-6+,11-9+,15-7+,16-10+/t17-,19+,20-/m0/s1 |
| InChIKey | KZTUCCPAMXRZMA-YTOQNLHGSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G8bSU9PlgXp |
|---|---|
| Name | 7-Oxabicyclo[4.1.0]heptane, retinal deriv. |
| Alternate Name(s) | Retinal, 5,6-epoxy-5,6-dihydro-3-hydroxy-, (3S,5R,6S)- (1'S,2'R,4'S,2E,4E,6E,8E)-9-(1',2'-epoxy-4'-hydroxy-2',6',6'-trimethylcyclohexyl)-3,7-dimethylnona-2,4,6,8-tetraenal (2E,4E,6E,8E)-9-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3,7-dimethyl-2,4,6,8-nonatetraenal |
| CAS Registry Number | 123393-32-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-15(7-6-8-16(2)10-12-21)9-11-20-18(3,4)13-17(22)14-19(20,5)23-20/h6-12,17,22H,13-14H2,1-5H3/b8-6+,11-9+,15-7+,16-10+/t17-,19+,20-/m0/s1 |
| InChIKey | KZTUCCPAMXRZMA-YTOQNLHGSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | O[C@]1(CC([C@]2([C@](C1)(C)O2)\C=C\C(=C\C=C\C(=C\C=O)C)C)(C)C)[H] |
| SPLASH | splash10-00kf-0095000000-fa1cec84c90249d4ef7b |
| Source of Spectrum | H-71-1993-6 |
| Wiley ID | 1317091 |