| SpectraBase Compound ID | FBSBeZ28U7r |
|---|---|
| InChI | InChI=1S/C25H36O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h6,10-11,17,19-20,22-23,26H,7-9,12-14H2,1-5H3/b18-6-/t17-,19-,20+,22?,23-,24+,25-/m0/s1 |
| InChIKey | PWHAYWTWJLFKJT-HSJHWEOQSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C25H36O3 |
| Exact Mass | 384.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DP0U6X5bFi4 |
|---|---|
| Name | Ophiobolin I |
| CAS Registry Number | 110013-85-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O3 |
| InChI | InChI=1S/C25H36O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h6,10-11,17,19-20,22-23,26H,7-9,12-14H2,1-5H3/b18-6-/t17-,19-,20+,22?,23-,24+,25-/m0/s1 |
| InChIKey | PWHAYWTWJLFKJT-HSJHWEOQSA-N |
| Molecular Weight | 384.560 g/mol |
| SMILES | OC\C=1[C@@]2(C(=O)C=C([C@]2(C[C@@]2(C([C@]3(O[C@@](C=C(C)C)(C[C@@]3(C)[H])[H])CC2)CC/1)C)[H])C)[H] |
| SPLASH | splash10-066r-0925000000-c2ca6bc4cf69e990e22a |
| Source of Spectrum | J-53-2172-1 |
| Wiley ID | 1361860 |