| SpectraBase Compound ID | myburSutZE |
|---|---|
| InChI | InChI=1S/C40H62O9/c1-25-9-7-18-36(3,43)32-23-27(15-20-38(5)30(48-38)13-11-25)29(34(41)46-32)17-22-40(45)28-16-21-39(6)31(49-39)14-12-26(2)10-8-19-37(4,44)33(24-28)47-35(40)42/h9-10,27-33,43-45H,7-8,11-24H2,1-6H3/b25-9+,26-10+/t27-,28-,29-,30+,31+,32-,33+,36+,37+,38+,39+,40+/m1/s1 |
| InChIKey | RWILLILBLITYLA-JZPLKFGGSA-N |
| Mol Weight | 686.9 g/mol |
| Molecular Formula | C40H62O9 |
| Exact Mass | 686.439384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pM110Wis3v |
|---|---|
| Name | SINULAFLEXIOLIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62O9 |
| InChI | InChI=1S/C40H62O9/c1-25-9-7-18-36(3,43)32-23-27(15-20-38(5)30(48-38)13-11-25)29(34(41)46-32)17-22-40(45)28-16-21-39(6)31(49-39)14-12-26(2)10-8-19-37(4,44)33(24-28)47-35(40)42/h9-10,27-33,43-45H,7-8,11-24H2,1-6H3/b25-9+,26-10+/t27-,28-,29-,30+,31+,32-,33+,36+,37+,38+,39+,40+/m1/s1 |
| InChIKey | RWILLILBLITYLA-JZPLKFGGSA-N |
| Literature Reference Author | T.WEN,Y.DING,Z.DENG,L.VANOFWEGEN,P.PROKSCH,W.LIN |
| Literature Reference Citation | J.NAT.PROD.,71,1133(2008) |
| Literature Reference DOI | 10.1021/np070640g |
| Molecular Weight | 686.927 g/mol |
| Sample ID | 28567 |
| Solvent | DMSO-D6 |