![(3S,5R)-3-[3-(Benzyloxy)propyl]-5-hydroxy-14-methoxy-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-1-one](/api/spectrum/81m93XNay8k/structure.png?h=300&w=458 "(3S,5R)-3-[3-(Benzyloxy)propyl]-5-hydroxy-14-methoxy-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-1-one")
| SpectraBase Compound ID | BeKclKCPkJR |
|---|---|
| InChI | InChI=1S/C26H32O5/c1-29-24-16-8-13-21-12-6-3-7-14-22(27)18-23(31-26(28)25(21)24)15-9-17-30-19-20-10-4-2-5-11-20/h2,4-6,8,10-13,16,22-23,27H,3,7,9,14-15,17-19H2,1H3/b12-6+/t22-,23+/m1/s1 |
| InChIKey | GFMDCPQTVIMBSP-NPIYFEBWSA-N |
| Mol Weight | 424.5 g/mol |
| Molecular Formula | C26H32O5 |
| Exact Mass | 424.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81m93XNay8k |
|---|---|
| Name | (3S,5R)-3-[3-(BENZYLOXY)-PROPYL]-5-HYDROXY-14-METHOXY-3,4,5,6,7,8-HEXAHYDRO-1H-2-BENZOXACYCLODODECIN-1-ONE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H32O5 |
| InChI | InChI=1S/C26H32O5/c1-29-24-16-8-13-21-12-6-3-7-14-22(27)18-23(31-26(28)25(21)24)15-9-17-30-19-20-10-4-2-5-11-20/h2,4-6,8,10-13,16,22-23,27H,3,7,9,14-15,17-19H2,1H3/b12-6+/t22-,23+/m1/s1 |
| InChIKey | GFMDCPQTVIMBSP-NPIYFEBWSA-N |
| Literature Reference Author | S.M.KUHNERT,M.E.MAIER |
| Literature Reference Citation | ORG.LETTERS,4,643(2002) |
| Literature Reference DOI | 10.1021/ol017261d |
| Molecular Weight | 424.537 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWLU35622 |