![(7Z)-10-[1'-(Benzyloxyheptyl)]-5,6-(isopropylidene)dioxy-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one](/api/spectrum/4tHCJpyt0PZ/structure.png?h=300&w=458 "(7Z)-10-[1'-(Benzyloxyheptyl)]-5,6-(isopropylidene)dioxy-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one")
| SpectraBase Compound ID | dR1ppdwuIf |
|---|---|
| InChI | InChI=1S/C26H38O5/c1-4-5-6-10-14-21(28-19-20-12-8-7-9-13-20)22-15-11-16-23-24(17-18-25(27)29-22)31-26(2,3)30-23/h7-9,11-13,16,21-24H,4-6,10,14-15,17-19H2,1-3H3/b16-11-/t21-,22-,23+,24+/m0/s1 |
| InChIKey | KYQVTIJLVHFBRO-AXPAHJKJSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C26H38O5 |
| Exact Mass | 430.271924 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4tHCJpyt0PZ |
|---|---|
| Name | (7Z)-10-[1'-(Benzyloxyheptyl)]-5,6-(isopropylidene)dioxy-3,4,5,6,9,10-hexahydro-2H-oxecin-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H38O5 |
| InChI | InChI=1S/C26H38O5/c1-4-5-6-10-14-21(28-19-20-12-8-7-9-13-20)22-15-11-16-23-24(17-18-25(27)29-22)31-26(2,3)30-23/h7-9,11-13,16,21-24H,4-6,10,14-15,17-19H2,1-3H3/b16-11-/t21-,22-,23+,24+/m0/s1 |
| InChIKey | KYQVTIJLVHFBRO-AXPAHJKJSA-N |
| Molecular Weight | 430.585 g/mol |
| SMILES | C1(O[C@@]2(\C=C/C[C@]([C@@](OCc3ccccc3)(CCCCCC)[H])([H])OC(CC[C@]2(O1)[H])=O)[H])(C)C |
| SPLASH | splash10-0006-9110000000-2b73045c6d79968ad510 |
| Source of Spectrum | F5-2-46-(7Z)--22 |
| Synonyms | (Z)-(3aR,8S,11aR)-8-((S)-1-Benzyloxy-heptyl)-2,2-dimethyl-3a,4,5,8,9,11a-hexahydro-1,3,7-trioxa-cyclopentacyclodecen-6-one (3aR,8S,11aR,Z)-8-((S)-1-(benzyloxy)heptyl)-2,2-dimethyl-4,5,8,9-tetrahydro-3aH-[1,3]dioxolo[4,5-e]oxecin-6(11aH)-one (3aR,8S,10Z,11aR)-8-[(1S)-1-benzyloxyheptyl]-2,2-dimethyl-3a,4,5,8,9,11a-hexahydro-[1,3]dioxolo[4,5-e]oxecin-6-one (3aR,8S,10Z,11aR)-2,2-dimethyl-8-[(1S)-1-phenylmethoxyheptyl]-3a,4,5,8,9,11a-hexahydro-[1,3]dioxolo[4,5-e]oxecin-6-one |
| Wiley ID | 1731652 |