| SpectraBase Spectrum ID |
9RVgYLdnKwn |
| Name |
4-Demethyl-3,5-dideoxy-4-episoraphen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H42O6 |
| InChI |
InChI=1S/C28H42O6/c1-18-15-16-25(32-5)24(31-4)14-10-9-13-23(21-11-7-6-8-12-21)33-28(30)20(3)27-22(29)17-19(2)26(18)34-27/h6-8,11-12,15-16,18-20,22-27,29H,9-10,13-14,17H2,1-5H3/b16-15+/t18-,19-,20-,22-,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey |
OPTGUOLMZFVGJO-AMNYPUFRSA-N |
| Molecular Weight |
474.638 g/mol |
| SMILES |
O[C@@]1([C@@]2(O[C@@]([C@](\C=C\[C@]([C@](CCCC[C@](OC([C@]2(C)[H])=O)(c2ccccc2)[H])(OC)[H])(OC)[H])(C)[H])([C@](C1)(C)[H])[H])[H])[H] |
| SPLASH |
splash10-052u-6920000000-e5be842266342bd7c9f5 |
| Source of Spectrum |
U-1997-252-29 |
| Synonyms |
(1R,2S,5S,10S,11R,14S,15R,16S,18S)-18-hydroxy-10,11-dimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
(1R,2S,3E,5R,6S,11S,14S,15R,16S,18S)-5,6-dimethoxy-2,14,18-trimethyl-16-oxidanyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one |
| Wiley ID |
769340 |
