![(1R,2R,3R,4S,4aR,7S,8aR)-2,4-dibenzoxy-5-[(1S)-1-hydroxyethyl]-3-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1,7-diol](/api/spectrum/Ljx7hk5LOXv/structure.png?h=300&w=458 "(1R,2R,3R,4S,4aR,7S,8aR)-2,4-dibenzoxy-5-[(1S)-1-hydroxyethyl]-3-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1,7-diol")
| SpectraBase Compound ID | 1RKBywUSmDd |
|---|---|
| InChI | InChI=1S/C27H34O5/c1-17-26(31-15-19-9-5-3-6-10-19)24-22(18(2)28)13-21(29)14-23(24)25(30)27(17)32-16-20-11-7-4-8-12-20/h3-13,17-18,21,23-30H,14-16H2,1-2H3/t17-,18+,21-,23-,24+,25-,26-,27-/m1/s1 |
| InChIKey | QBYREJIEFVPWOQ-YFJWXRGHSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C27H34O5 |
| Exact Mass | 438.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ljx7hk5LOXv |
|---|---|
| Name | (1R,2R,3R,4S,4aR,7S,8aR)-2,4-dibenzoxy-5-[(1S)-1-hydroxyethyl]-3-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1,7-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H34O5 |
| InChI | InChI=1S/C27H34O5/c1-17-26(31-15-19-9-5-3-6-10-19)24-22(18(2)28)13-21(29)14-23(24)25(30)27(17)32-16-20-11-7-4-8-12-20/h3-13,17-18,21,23-30H,14-16H2,1-2H3/t17-,18+,21-,23-,24+,25-,26-,27-/m1/s1 |
| InChIKey | QBYREJIEFVPWOQ-YFJWXRGHSA-N |
| Molecular Weight | 438.564 g/mol |
| SMILES | O[C@]1([C@@]([C@@]([C@]([C@]2(C([C@@](O)(C)[H])=C[C@](C[C@@]12[H])(O)[H])[H])(OCc1ccccc1)[H])(C)[H])(OCc1ccccc1)[H])[H] |
| SPLASH | splash10-0006-9100000000-d0498960f303b179050f |
| Source of Spectrum | F-53-3093-25 |
| Synonyms | (1R,2R,3R,4S,4aR,7S,8aR)-2,4-dibenzyloxy-5-[(1S)-1-hydroxyethyl]-3-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1,7-diol (1R,2R,3R,4S,4aR,7S,8aR)-3-methyl-5-[(1S)-1-oxidanylethyl]-2,4-bis(phenylmethoxy)-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1,7-diol (1R,2R,3R,4S,4aR,7S,8aR)-5-[(1S)-1-hydroxyethyl]-3-methyl-2,4-bis(phenylmethoxy)-1,2,3,4,4a,7,8,8a-octahydronaphthalene-1,7-diol |
| Wiley ID | 800776 |