| SpectraBase Compound ID | Ax3LNMhjTEW |
|---|---|
| InChI | InChI=1S/C20H26O6/c1-11-15(22)9-20-10-26-18(24)13(20)3-4-14(21)16(20)19(11,2)7-5-12-6-8-25-17(12)23/h3,6,11,14-16,21-22H,4-5,7-10H2,1-2H3/t11-,14+,15-,16-,19+,20-/m1/s1 |
| InChIKey | IGDQPUUEAFSFMX-GYDJTEOTSA-N |
| Mol Weight | 362.42 g/mol |
| Molecular Formula | C20H26O6 |
| Exact Mass | 362.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EBaEb5jD0OS |
|---|---|
| Name | Neoclerodane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O6 |
| InChI | InChI=1S/C20H26O6/c1-11-15(22)9-20-10-26-18(24)13(20)3-4-14(21)16(20)19(11,2)7-5-12-6-8-25-17(12)23/h3,6,11,14-16,21-22H,4-5,7-10H2,1-2H3/t11-,14+,15-,16-,19+,20-/m1/s1 |
| InChIKey | IGDQPUUEAFSFMX-GYDJTEOTSA-N |
| Molecular Weight | 362.422 g/mol |
| SMILES | O[C@]1([C@]([C@@]([C@]2([C@](CC=C3[C@@]2(C1)COC3=O)(O)[H])[H])(CCC=1C(OCC1)=O)C)(C)[H])[H] |
| SPLASH | splash10-0006-9100000000-1f705b8a8444f83b10ae |
| Source of Spectrum | G4-60-492-4 |
| Synonyms | 1.alpha.,7.alpha.-Dihydroxy-neocleroda-3,13-dien-16,15 : 18,19-diolide (6S,6aR,7S,8S,9R,10aS)-6,9-dihydroxy-7,8-dimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one (6S,6aR,7S,8S,9R,10aS)-6,9-dihydroxy-7,8-dimethyl-7-[2-(5-oxo-2H-furan-4-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d]isobenzofuran-3-one (6S,6aR,7S,8S,9R,10aS)-7,8-dimethyl-6,9-bis(oxidanyl)-7-[2-(5-oxidanylidene-2H-furan-4-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one |
| Wiley ID | 1606689 |