| SpectraBase Spectrum ID |
1cYMvz9JS4 |
| Name |
(17R)-17-Butyl-17-desphenylsoraphen |
| Alternate Name(s) |
(1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-5-tert-butyl-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one |
| Comments |
Edited after expert review for DOP contamination - Original record with SpectrumID 766739 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H48O8 |
| InChI |
InChI=1S/C27H48O8/c1-16-14-15-20(32-8)19(31-7)12-10-11-13-21(26(4,5)6)34-25(29)18(3)27(30)24(33-9)22(28)17(2)23(16)35-27/h14-24,28,30H,10-13H2,1-9H3/b15-14+/t16-,17-,18+,19-,20+,21-,22-,23-,24+,27+/m0/s1 |
| InChIKey |
SFXDIIIACWTTMQ-KBFXZLFPSA-N |
| Molecular Weight |
500.673 g/mol |
| SMILES |
O[C@@]1([C@]([C@@]2(O[C@]([C@]1(C)[H])([C@](\C=C\[C@]([C@@](OC)(CCCC[C@](OC([C@]2(C)[H])=O)(C(C)(C)C)[H])[H])(OC)[H])(C)[H])[H])O)(OC)[H])[H] |
| SPLASH |
splash10-0i0r-0003910000-4e6af236ef127aceffe7 |
| Source of Spectrum |
U-1995-813-2 |
| Wiley ID |
1821497 |
