![(2R)-2-[(3R,5aS,6R,9S,9aR)-9a-formyl-3-methoxy-3,6-dimethyl-5,5a,6,7,8,9-hexahydro-4H-benzo[c]dioxepin-9-yl]propanoic acid methyl ester](/api/spectrum/5XId9r9IMrN/structure.png?h=300&w=458 "(2R)-2-[(3R,5aS,6R,9S,9aR)-9a-formyl-3-methoxy-3,6-dimethyl-5,5a,6,7,8,9-hexahydro-4H-benzo[c]dioxepin-9-yl]propanoic acid methyl ester")
| SpectraBase Compound ID | 6qdYGSLcN16 |
|---|---|
| InChI | InChI=1S/C17H28O6/c1-11-6-7-14(12(2)15(19)20-4)17(10-18)13(11)8-9-16(3,21-5)22-23-17/h10-14H,6-9H2,1-5H3/t11-,12-,13+,14+,16-,17-/m1/s1 |
| InChIKey | SPGBFYFRVIYSOR-DUUYBOGCSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C17H28O6 |
| Exact Mass | 328.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5XId9r9IMrN |
|---|---|
| Name | (2R)-2-[(3R,5aS,6R,9S,9aR)-9a-formyl-3-methoxy-3,6-dimethyl-5,5a,6,7,8,9-hexahydro-4H-benzo[c]dioxepin-9-yl]propanoic acid methyl ester |
| Alternate Name(s) | (2R)-2-[(3R,5aS,6R,9S,9aR)-9a-formyl-3-methoxy-3,6-dimethyl-5,5a,6,7,8,9-hexahydro-4H-benzo[c]dioxepin-9-yl]propionic acid methyl ester Methyl (2R)-2-[(3R,5aS,6R,9S,9aR)-9a-formyl-3-methoxy-3,6-dimethyl-5,5a,6,7,8,9-hexahydro-4H-benzo[c]dioxepin-9-yl]propanoate Methyl (2R)-2-[(3R,5aS,6R,9S,9aR)-9a-methanoyl-3-methoxy-3,6-dimethyl-5,5a,6,7,8,9-hexahydro-4H-benzo[c][1,2]dioxepin-9-yl]propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O6 |
| InChI | InChI=1S/C17H28O6/c1-11-6-7-14(12(2)15(19)20-4)17(10-18)13(11)8-9-16(3,21-5)22-23-17/h10-14H,6-9H2,1-5H3/t11-,12-,13+,14+,16-,17-/m1/s1 |
| InChIKey | SPGBFYFRVIYSOR-DUUYBOGCSA-N |
| Molecular Weight | 328.405 g/mol |
| SMILES | [C@@]12(OO[C@](OC)(C)CC[C@]2([C@@](CC[C@]1([C@](C(=O)OC)(C)[H])[H])(C)[H])[H])C=O |
| SPLASH | splash10-0f9i-5910000000-c831ff63f15a4cc18524 |
| Source of Spectrum | KC-0-3440-9 |
| Wiley ID | 823929 |