| SpectraBase Compound ID | 8wUZbYMbDtZ |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-8-10(16)4-5-14(3)6-7-15(18)9(2)13(17)19-12(15)11(8)14/h9-10,12,16,18H,4-7H2,1-3H3/t9-,10+,12?,14+,15+/m0/s1 |
| InChIKey | NVXJDQXVTHYURW-KYSFUQODSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GpuUezqMFQp |
|---|---|
| Name | Grangolide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-8-10(16)4-5-14(3)6-7-15(18)9(2)13(17)19-12(15)11(8)14/h9-10,12,16,18H,4-7H2,1-3H3/t9-,10+,12?,14+,15+/m0/s1 |
| InChIKey | NVXJDQXVTHYURW-KYSFUQODSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | O[C@]1(C(=C2C3[C@@](CC[C@]2(CC1)C)([C@](C(O3)=O)(C)[H])O)C)[H] |
| SPLASH | splash10-02mj-0980000000-9946df8a0c08d417d0e3 |
| Source of Spectrum | X2-52-133-3 |
| Synonyms | 11.alpha.,13-Dihydro-3.alpha., 7.alpha.-Dihydroxy-Frullanolide (3R,3aR,5aR,8R)-3a,8-dihydroxy-3,5a,9-trimethyl-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one (3R,3aR,5aR,8R)-3,5a,9-trimethyl-3a,8-bis(oxidanyl)-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one |
| Wiley ID | 1603020 |