| SpectraBase Compound ID | 272OTUYB0fE |
|---|---|
| InChI | InChI=1S/C25H28O6/c1-14(2)17-12-18(25(27)30-13-15-8-6-5-7-9-15)23(26)24-21(17)22-19(29-4)10-16(28-3)11-20(22)31-24/h5-11,14,17,21,24,26H,12-13H2,1-4H3/t17-,21+,24-/m1/s1 |
| InChIKey | DZFXSOUZBYANSU-QATBIIFWSA-N |
| Mol Weight | 424.49 g/mol |
| Molecular Formula | C25H28O6 |
| Exact Mass | 424.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5mARyzXBAMc |
|---|---|
| Name | exo-Benzyl rel(1R,4aR,9bS)-1,2,4a,9b-tetrahydro-4-hydroxy-7,9-dimethoxy-1-(1-methylethyl)-3-dibenzofurancarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28O6 |
| InChI | InChI=1S/C25H28O6/c1-14(2)17-12-18(25(27)30-13-15-8-6-5-7-9-15)23(26)24-21(17)22-19(29-4)10-16(28-3)11-20(22)31-24/h5-11,14,17,21,24,26H,12-13H2,1-4H3/t17-,21+,24-/m1/s1 |
| InChIKey | DZFXSOUZBYANSU-QATBIIFWSA-N |
| Molecular Weight | 424.493 g/mol |
| SMILES | OC=1[C@@]2(Oc3cc(OC)cc(c3[C@@]2([C@](CC1C(OCc1ccccc1)=O)(C(C)C)[H])[H])OC)[H] |
| SPLASH | splash10-0f6x-9800100000-0b38d4528a69745ffd5a |
| Source of Spectrum | O1-65-1105-6 |
| Synonyms | benzyl (1R,4aR,9bS)-4-hydroxy-1-isopropyl-7,9-dimethoxy-1,2,4a,9b-tetrahydrodibenzo[b,d]furan-3-carboxylate (1R,4aR,9bS)-4-hydroxy-7,9-dimethoxy-1-propan-2-yl-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylic acid (phenylmethyl) ester benzyl (1R,4aR,9bS)-4-hydroxy-7,9-dimethoxy-1-propan-2-yl-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate benzyl (1R,4aR,9bS)-4-hydroxy-1-isopropyl-7,9-dimethoxy-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate (phenylmethyl) (1R,4aR,9bS)-7,9-dimethoxy-4-oxidanyl-1-propan-2-yl-1,2,4a,9b-tetrahydrodibenzofuran-3-carboxylate |
| Wiley ID | 1593082 |