| SpectraBase Compound ID | 60Kqhaq1rm7 |
|---|---|
| InChI | InChI=1S/C21H32O6/c1-13-6-9-20-15(19(13,2)8-7-14-10-17(23)26-11-14)4-5-16(22)21(20,24)12-27-18(20)25-3/h10,13,15-16,18,22,24H,4-9,11-12H2,1-3H3/t13-,15-,16+,18-,19+,20+,21-/m0/s1 |
| InChIKey | HUBVLTQWEFIATI-SZJWAJFPSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C21H32O6 |
| Exact Mass | 380.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K7ftaztBEHG |
|---|---|
| Name | 3-[2-[(1S,3aS,4R,6aS,7R,8S,10aS)-1-methoxy-7,8-dimethyl-3a,4-bis(oxidanyl)-3,4,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-7-yl]ethyl]-2H-furan-5-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O6 |
| InChI | InChI=1S/C21H32O6/c1-13-6-9-20-15(19(13,2)8-7-14-10-17(23)26-11-14)4-5-16(22)21(20,24)12-27-18(20)25-3/h10,13,15-16,18,22,24H,4-9,11-12H2,1-3H3/t13-,15-,16+,18-,19+,20+,21-/m0/s1 |
| InChIKey | HUBVLTQWEFIATI-SZJWAJFPSA-N |
| Molecular Weight | 380.481 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@]3([C@@]1(CO[C@@]3(OC)[H])O)CC[C@@]([C@]2(CCC1=CC(=O)OC1)C)(C)[H])[H])[H] |
| SPLASH | splash10-03di-5590000000-1575d519e595e00f3899 |
| Source of Spectrum | G4-59-467-1 |
| Synonyms | 3-[2-[(1S,3aS,4R,6aS,7R,8S,10aS)-3a,4-dihydroxy-1-methoxy-7,8-dimethyl-3,4,5,6,6a,8,9,10-octahydro-1H-benzo[d]isobenzofuran-7-yl]ethyl]-2H-furan-5-one 3-[2-[(1S,3aS,4R,6aS,7R,8S,10aS)-3a,4-dihydroxy-1-methoxy-7,8-dimethyl-3,4,5,6,6a,8,9,10-octahydro-1H-benzo[d][2]benzofuran-7-yl]ethyl]-2H-furan-5-one 3-[2-[(1S,3aS,4R,6aS,7R,8S,10aS)-3a,4-dihydroxy-1-methoxy-7,8-dimethyl-3,4,5,6,6a,8,9,10-octahydro-1H-benz[d]isobenzofuran-7-yl]ethyl]-2H-furan-5-one |
| Wiley ID | 1606317 |