| SpectraBase Compound ID | JX8g9KCG10r |
|---|---|
| InChI | InChI=1S/C39H43F3O10/c1-23-29(51-28(44)16-15-24-11-7-5-8-12-24)31(45)35(3)30(26(43)17-18-37(35)22-49-37)34(23,2)27-21-36(19-20-48-33(36)50-27)52-32(46)38(47-4,39(40,41)42)25-13-9-6-10-14-25/h5-16,23,27,29-31,33,45H,17-22H2,1-4H3/b16-15+/t23-,27+,29-,30-,31+,33+,34-,35+,36+,37+,38+/m1/s1 |
| InChIKey | MDSLPICYWAKPGE-CKORJESXSA-N |
| Mol Weight | 728.8 g/mol |
| Molecular Formula | C39H43F3O10 |
| Exact Mass | 728.280832 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AJ9Bd6sqly |
|---|---|
| Name | (4R,11S,13R)-7-BETA-TRANS-CINNAMOYLOXY-4,18:11,16:15,16-TRIEPOXY-1-NEOCLERODANONE-13-O-METHOXY-(TRIFLUOROMETHYL)-PHENYL-ACETYLESTER |
| Compound Number | 1C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H43F3O10 |
| InChI | InChI=1S/C39H43F3O10/c1-23-29(51-28(44)16-15-24-11-7-5-8-12-24)31(45)35(3)30(26(43)17-18-37(35)22-49-37)34(23,2)27-21-36(19-20-48-33(36)50-27)52-32(46)38(47-4,39(40,41)42)25-13-9-6-10-14-25/h5-16,23,27,29-31,33,45H,17-22H2,1-4H3/b16-15+/t23-,27+,29-,30-,31+,33+,34-,35+,36+,37+,38+/m1/s1 |
| InChIKey | MDSLPICYWAKPGE-CKORJESXSA-N |
| Literature Reference Author | H.KIZU,N.SUGITA,T.TOMIMORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,988(1998) |
| Literature Reference DOI | 10.1248/cpb.46.988 |
| Molecular Weight | 728.760 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6488 |