| SpectraBase Compound ID | 1aC8ChhTFTJ |
|---|---|
| InChI | InChI=1S/C41H60O16/c1-5-7-8-9-10-11-12-17-31(47)53-22-30-33(48)34(49)35(50)41(55-30)57-37-29(21-43)54-38(32-25(20-42)18-26(44)19-28(32)46)36(51)39(37)56-40(52)24(4)15-13-14-16-27(45)23(3)6-2/h10-15,17-19,23,27,29-30,33-39,41-46,48-51H,5-9,16,20-22H2,1-4H3/b11-10-,14-13+,17-12+,24-15+/t23?,27?,29-,30+,33-,34-,35+,36+,37-,38+,39-,41-/m1/s1 |
| InChIKey | PKHFEGZZONAJBZ-PAXFAIJASA-N |
| Mol Weight | 808.9 g/mol |
| Molecular Formula | C41H60O16 |
| Exact Mass | 808.388136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53YUgRlgjOw |
|---|---|
| Name | CORYNECANDIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H60O16 |
| InChI | InChI=1S/C41H60O16/c1-5-7-8-9-10-11-12-17-31(47)53-22-30-33(48)34(49)35(50)41(55-30)57-37-29(21-43)54-38(32-25(20-42)18-26(44)19-28(32)46)36(51)39(37)56-40(52)24(4)15-13-14-16-27(45)23(3)6-2/h10-15,17-19,23,27,29-30,33-39,41-46,48-51H,5-9,16,20-22H2,1-4H3/b11-10-,14-13+,17-12+,24-15+/t23?,27?,29-,30+,33-,34-,35+,36+,37-,38+,39-,41-/m1/s1 |
| InChIKey | PKHFEGZZONAJBZ-PAXFAIJASA-N |
| Literature Reference Author | G.GUNAWARDANA,R.R.RASMUSSEN,M.SCHERR,D.FROST,K.D.BRANDT,W.CH OI,M.JACKSON,J.P.KAR |
| Literature Reference Citation | J.ANTIBIOTICS,50,884(1997) |
| Literature Reference DOI | 10.7164/antibiotics.50.884 |
| Molecular Weight | 808.918 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU2020 |