| SpectraBase Compound ID | FuSL1qNjTUJ |
|---|---|
| InChI | InChI=1S/C29H36O4Se/c1-19(2)23-16-14-20(3)18-25(23)32-29-27(34-22-12-8-5-9-13-22)26(28(31)33-29)24(30)17-15-21-10-6-4-7-11-21/h4-13,15,17,19-20,23-27,29-30H,14,16,18H2,1-3H3/b17-15+/t20-,23?,24+,25-,26-,27-,29-/m1/s1 |
| InChIKey | URZITJPLIKXYCW-DDCPAYKUSA-N |
| Mol Weight | 527.6 g/mol |
| Molecular Formula | C29H36O4Se |
| Exact Mass | 528.177882 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 23rq7GVMnY |
|---|---|
| Name | 2(R)-(1'(S)-Hydroxy-1'(E)-strylmethyl)-3(R)-phenylselenyl-4(R)-(1"R),2"(S)-,5"(R)-menthyl)oxybutanolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H36O4Se |
| InChI | InChI=1S/C29H36O4Se/c1-19(2)23-16-14-20(3)18-25(23)32-29-27(34-22-12-8-5-9-13-22)26(28(31)33-29)24(30)17-15-21-10-6-4-7-11-21/h4-13,15,17,19-20,23-27,29-30H,14,16,18H2,1-3H3/b17-15+/t20-,23?,24+,25-,26-,27-,29-/m1/s1 |
| InChIKey | URZITJPLIKXYCW-DDCPAYKUSA-N |
| Molecular Weight | 527.575 g/mol |
| SMILES | O[C@@](\C=C\c1ccccc1)([C@@]1([C@@]([Se]c2ccccc2)([C@@](OC1=O)(O[C@]1(C(CC[C@](C1)(C)[H])C(C)C)[H])[H])[H])[H])[H] |
| SPLASH | splash10-001i-6910000000-1daf7e213630ca1a87f7 |
| Source of Spectrum | J-66-611-4 |
| Wiley ID | 1534345 |