| SpectraBase Compound ID | Dy6XnDBs40R |
|---|---|
| InChI | InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17+,32-23+/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1 |
| InChIKey | WKTLNJXZVDLRTJ-QRRXZRELSA-N |
| Mol Weight | 743.0 g/mol |
| Molecular Formula | C44H70O9 |
| Exact Mass | 742.501984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FC1BDxEjmx5 |
|---|---|
| Name | MYCOLACTONE-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O9 |
| InChI | InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17+,32-23+/t33-,34+,35+,36-,37+,38-,39+,40+,41+,42-/m1/s1 |
| InChIKey | WKTLNJXZVDLRTJ-QRRXZRELSA-N |
| Literature Reference Author | S.FIDANZE,F.SONG,M.SZLOSEK-PINAUD,P.L.C.SMALL,Y.KISHI |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,10117(2001) |
| Literature Reference DOI | 10.1021/ja011824z |
| Molecular Weight | 743.034 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU32707 |