| SpectraBase Compound ID | FqSXC0zfzqA |
|---|---|
| InChI | InChI=1S/C45H52O13/c1-24-27-18-19-29(24)30(53-38(48)26-12-6-4-7-13-26)16-10-11-17-33(47)54-32-21-20-31-42(32,51)39(49)41(23-46)36(55-41)34-37-44(52,40(3,50)22-27)35-25(2)43(31,34)58-45(56-35,57-37)28-14-8-5-9-15-28/h4-17,24-25,27,29-32,34-37,39,46,49-52H,18-23H2,1-3H3/b16-10?,17-11+/t24-,25+,27+,29-,30-,31+,32-,34-,35-,36-,37+,39+,40+,41-,42+,43-,44-,45+/m0/s1 |
| InChIKey | IXYFWJDPNIHVPG-VJVBILCDSA-N |
| Mol Weight | 800.9 g/mol |
| Molecular Formula | C45H52O13 |
| Exact Mass | 800.340792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63ckM8vXKLD |
|---|---|
| Name | REDIOCIDE-F |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H52O13 |
| InChI | InChI=1S/C45H52O13/c1-24-27-18-19-29(24)30(53-38(48)26-12-6-4-7-13-26)16-10-11-17-33(47)54-32-21-20-31-42(32,51)39(49)41(23-46)36(55-41)34-37-44(52,40(3,50)22-27)35-25(2)43(31,34)58-45(56-35,57-37)28-14-8-5-9-15-28/h4-17,24-25,27,29-32,34-37,39,46,49-52H,18-23H2,1-3H3/b16-10?,17-11+/t24-,25+,27+,29-,30-,31+,32-,34-,35-,36-,37+,39+,40+,41-,42+,43-,44-,45+/m0/s1 |
| InChIKey | IXYFWJDPNIHVPG-VJVBILCDSA-N |
| Literature Reference Author | N.SOONTHORNCHAREONNON,M.SAKAYAROJKUL,M.ISAKA,V.MAHAKITTIKUN, W.CHUAKUL,P.WONGSINK |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,241(2005) |
| Literature Reference DOI | 10.1248/cpb.53.241 |
| Molecular Weight | 800.900 g/mol |
| Sample ID | 53930 |
| Solvent | CDCl3 |