ROGIOLOXEPANE-C-(-)-MTPA-ESTER;(+)-(2R,4S,5S,7R)-2-(1-BROMOPROPYL)-5-CHLORO-7-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-OXEPAN-4-YL-(-)-R-(2-TRIFLUOROMETHYL-2-METHOXY-2-PH
Compound with spectra: 1 NMR
![ROGIOLOXEPANE-C-(-)-MTPA-ESTER;(+)-(2R,4S,5S,7R)-2-(1-BROMOPROPYL)-5-CHLORO-7-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-OXEPAN-4-YL-(-)-R-(2-TRIFLUOROMETHYL-2-METHOXY-2-PH](/api/compound/7NYgBRagAPI.png?ph=true&h=300&w=458 "ROGIOLOXEPANE-C-(-)-MTPA-ESTER;(+)-(2R,4S,5S,7R)-2-(1-BROMOPROPYL)-5-CHLORO-7-[(Z)-1-CHLOROHEX-3-EN-5-YNYL]-OXEPAN-4-YL-(-)-R-(2-TRIFLUOROMETHYL-2-METHOXY-2-PH")
| SpectraBase Compound ID | 7NYgBRagAPI |
|---|---|
| InChI | InChI=1S/C25H28BrCl2F3O4/c1-4-6-8-13-18(27)21-14-19(28)22(15-20(34-21)17(26)5-2)35-23(32)24(33-3,25(29,30)31)16-11-9-7-10-12-16/h1,6-12,17-22H,5,13-15H2,2-3H3/b8-6-/t17-,18+,19+,20-,21-,22+,24-/m1/s1 |
| InChIKey | VYLSYSJKLIBCLH-YKJNMDPJSA-N |
| Mol Weight | 600.3 g/mol |
| Molecular Formula | C25H28BrCl2F3O4 |
| Exact Mass | 598.050012 g/mol |
| Enantiomer InChIKey | VYLSYSJKLIBCLH-BCIARZISSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID-3-ALPHA-SENECIOYLOXY-6-BETA-HYDROXY-TROPANE
(R)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID-3-ALPHA-SENECIOYLOXY-6-BETA-HYDROXY-TROPANE
(S)-MTPA-TETRAESTER-IRIDANE
(R)-MTPA-TETRAESTER-IRIDANE
(R)-MTPA-ESTER-1A
(S)-MTPA-ESTER-1B
VERSICOLACTONE_B-(R)-MTPA-ESTER
VERSICOLACTONE_B-(S)-MTPA-ESTER
(+)-N-[(3-R,4-R)-hexahydro-4-hydroxy-1-(phenylmethyl)-1-H-azepin-3-yl]-4-(phenylmethoxy)-benzamide_mosher's_ester;minor_isomer
| Title | Journal or Book | Year |
|---|---|---|
| On the unusual propensity by the red seaweedLaurencia microcladia of II Rogiolo to form C15 oxepanes: Isolation of rogioloxepane A, B, C, and their likely biogenetic acyclic precursor, prerogioloxepane | Helvetica Chimica Acta | 1992 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.