| SpectraBase Compound ID | IMPyffI3oXp |
|---|---|
| InChI | InChI=1S/C21H20O7/c1-27-19-12-7-21(26,9-22)8-13(23)14(12)20(28-2)16-15(19)17(24)10-5-3-4-6-11(10)18(16)25/h3-6,13,22-23,26H,7-9H2,1-2H3/t13-,21-/m0/s1 |
| InChIKey | JYXRWBQAXKEMTI-ZSEKCTLFSA-N |
| Mol Weight | 384.38 g/mol |
| Molecular Formula | C21H20O7 |
| Exact Mass | 384.120903 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BxgaLYBhq5J |
|---|---|
| Name | (7S)-7,9-Dihydroxy-9-(hydroxymethyl)-6,11-dimethoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O7 |
| InChI | InChI=1S/C21H20O7/c1-27-19-12-7-21(26,9-22)8-13(23)14(12)20(28-2)16-15(19)17(24)10-5-3-4-6-11(10)18(16)25/h3-6,13,22-23,26H,7-9H2,1-2H3/t13-,21-/m0/s1 |
| InChIKey | JYXRWBQAXKEMTI-ZSEKCTLFSA-N |
| Molecular Weight | 384.384 g/mol |
| SMILES | O[C@@]1(CO)Cc2c(c3c(C(c4ccccc4C3=O)=O)c(c2[C@](C1)(O)[H])OC)OC |
| SPLASH | splash10-0a5i-0009000000-0695cb3d8c281268d2ec |
| Source of Spectrum | B-52-796-54 |
| Synonyms | (7S,9S)-7,9-Dihydroxy-8-(hydroxymethyl)-6,11-dimethoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione (7S)-7,9-dihydroxy-9-(hydroxymethyl)-6,11-dimethoxy-7,8,9,10-tetrahydro-5,12-naphthacenedione (7S,9S)-7,9-dihydroxy-8-(hydroxymethyl)-6,11-dimethoxy-7,8,9,10-tetrahydro-5,12-naphthacenedione (7S,9S)-7,9-Dihydroxy-9-hydroxymethyl-6,11-dimethoxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione (7S,9S)-7,9-Dihydroxy-9-(hydroxymethyl)-6,11-dimethoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione |
| Wiley ID | 810863 |