| SpectraBase Compound ID | 4rh8AJ9sTS7 |
|---|---|
| InChI | InChI=1S/C43H48O6/c1-6-34(46-26-29-16-10-7-11-17-29)40(47-27-30-18-12-8-13-19-30)41(48-28-31-20-14-9-15-21-31)39-37-32(44)22-42(2,3)24-35(37)49-36-25-43(4,5)23-33(45)38(36)39/h6-21,34,39-41H,1,22-28H2,2-5H3 |
| InChIKey | KYIBHIPGZAOOKR-UHFFFAOYSA-N |
| Mol Weight | 660.9 g/mol |
| Molecular Formula | C43H48O6 |
| Exact Mass | 660.345089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | APytCzC7zON |
|---|---|
| Name | D-threo-Pent-1-enitol, 1,2-dideoxy-5-C-(2,3,4,5,6,7,8,9-octahydro-3,3,6,6-tetramethyl-1,8-dioxo-1H-xanthen-9-yl)-3,4,5-tris-O-(phenylmethyl)-, (R)- |
| Alternate Name(s) | D-xylo-Hex-5-enose, 5,6-dideoxy-2,3-bis-O-(methoxymethyl)-, benzoate 1,2,3-tri-O-benzyl-4,5-dideoxy-1-C-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)pent-4-enitol 3,3,6,6-Tetramethyl-9-(1',2',3'-tri-O-benzyl-4',5'-dideoxy-D-xylo-pent-5'-enitol-1'-c-yl)-1,2,3,4,5,6,7,8-octahydroxanthen-1,8-dione 3,3,6,6-Tetramethyl-9-(1',2',3'-tri-O-benzyl-D-lyxo-pent-5'-enitol-1'-c-yl)-1,2,3,4,5,6,7,8-octahydroxanthen-1,8-dione |
| CAS Registry Number | 73111-10-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H48O6 |
| InChI | InChI=1S/C43H48O6/c1-6-34(46-26-29-16-10-7-11-17-29)40(47-27-30-18-12-8-13-19-30)41(48-28-31-20-14-9-15-21-31)39-37-32(44)22-42(2,3)24-35(37)49-36-25-43(4,5)23-33(45)38(36)39/h6-21,34,39-41H,1,22-28H2,2-5H3 |
| InChIKey | KYIBHIPGZAOOKR-UHFFFAOYSA-N |
| Molecular Weight | 660.851 g/mol |
| SMILES | C1=2C(C=3C(CC(CC3OC2CC(CC1=O)(C)C)(C)C)=O)C(C(OCc1ccccc1)C(OCc1ccccc1)C=C)OCc1ccccc1 |
| SPLASH | splash10-00di-6190000000-c8193bfcd5b94422ad26 |
| Source of Spectrum | H-62-2004-0 |
| Wiley ID | 1413594 |