| SpectraBase Compound ID | 77OsFUDUtbs |
|---|---|
| InChI | InChI=1S/C45H69N5O8S/c1-13-27(3)38-43(55)50-20-14-15-35(50)44(56)58-37(45(7,8)9)22-26(2)21-36(51)29(5)40-46-32(25-59-40)23-28(4)39(52)47-34(24-31-16-18-33(57-12)19-17-31)42(54)48(10)30(6)41(53)49(38)11/h16-19,23,26-27,29-30,32,34-38,51H,13-15,20-22,24-25H2,1-12H3,(H,47,52)/b28-23+/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | KXUJXPZXILTXDA-CKIYSKEDSA-N |
| Mol Weight | 840.1 g/mol |
| Molecular Formula | C45H69N5O8S |
| Exact Mass | 839.486685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJuuaBvCsXk |
|---|---|
| Name | APRATOXIN_A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H69N5O8S |
| InChI | InChI=1S/C45H69N5O8S/c1-13-27(3)38-43(55)50-20-14-15-35(50)44(56)58-37(45(7,8)9)22-26(2)21-36(51)29(5)40-46-32(25-59-40)23-28(4)39(52)47-34(24-31-16-18-33(57-12)19-17-31)42(54)48(10)30(6)41(53)49(38)11/h16-19,23,26-27,29-30,32,34-38,51H,13-15,20-22,24-25H2,1-12H3,(H,47,52)/b28-23+/t26-,27-,29-,30-,32-,34-,35-,36-,37-,38-/m0/s1 |
| InChIKey | KXUJXPZXILTXDA-CKIYSKEDSA-N |
| Literature Reference Author | M.GUTIERREZ,T.L.SUYAMA,N.ENGENE,J.S.WINGERD,T.MATAINAHO,W.H. GERWICK |
| Literature Reference Citation | J.NAT.PROD.,71,1099(2008) |
| Literature Reference DOI | 10.1021/np800121a |
| Molecular Weight | 840.132 g/mol |
| Sample ID | 28626 |
| Solvent | CDCl3 |