| SpectraBase Compound ID | IcwUiiGL68M |
|---|---|
| InChI | InChI=1S/C20H26O5/c1-12-16(22)9-20-11-25-18(23)14(20)3-4-15(21)17(20)19(12,2)7-5-13-6-8-24-10-13/h3,6,8,10,12,15-17,21-22H,4-5,7,9,11H2,1-2H3/t12-,15+,16-,17-,19+,20-/m1/s1 |
| InChIKey | RVZLDPWPUOTCAE-PUQUKBOQSA-N |
| Mol Weight | 346.42 g/mol |
| Molecular Formula | C20H26O5 |
| Exact Mass | 346.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7VpICMpH4GI |
|---|---|
| Name | Bacrispine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O5 |
| InChI | InChI=1S/C20H26O5/c1-12-16(22)9-20-11-25-18(23)14(20)3-4-15(21)17(20)19(12,2)7-5-13-6-8-24-10-13/h3,6,8,10,12,15-17,21-22H,4-5,7,9,11H2,1-2H3/t12-,15+,16-,17-,19+,20-/m1/s1 |
| InChIKey | RVZLDPWPUOTCAE-PUQUKBOQSA-N |
| Molecular Weight | 346.423 g/mol |
| SMILES | O[C@]1([C@]([C@@]([C@]2([C@](CC=C3[C@@]2(C1)COC3=O)(O)[H])[H])(CCc1cocc1)C)(C)[H])[H] |
| SPLASH | splash10-00kg-9400000000-b90a93dfeb233ab376de |
| Source of Spectrum | G4-60-492-1 |
| Synonyms | 15,16-Epoxy-1.alpha.,7.alpha.-dihydroxy-neocleroda-3,13(16),14-trien-18,19-olide (6S,6aR,7S,8S,9R,10aS)-7-[2-(3-furanyl)ethyl]-6,9-dihydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d]isobenzofuran-3-one (6S,6aR,7S,8S,9R,10aS)-7-[2-(furan-3-yl)ethyl]-6,9-dihydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one (6S,6aR,7S,8S,9R,10aS)-7-[2-(3-furyl)ethyl]-6,9-dihydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d]isobenzofuran-3-one (6S,6aR,7S,8S,9R,10aS)-7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-6,9-bis(oxidanyl)-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one |
| Wiley ID | 1606691 |