| SpectraBase Compound ID | ApPrxxvUYep |
|---|---|
| InChI | InChI=1S/C30H45N3O6S.Na/c1-21-10-11-25-26(9-6-14-29(25,2)3)30(21,4)15-12-22(19-39-40(36,37)38)7-5-8-23-17-27(34)33(28(23)35)16-13-24-18-31-20-32-24;/h9,17-18,20-22,25H,5-8,10-16,19H2,1-4H3,(H,31,32)(H,36,37,38);/q;+1/p-1/t21-,22?,25-,30-;/m0./s1 |
| InChIKey | TZSYRJXQEKBYBH-RFZRGUSWSA-M |
| Mol Weight | 597.7 g/mol |
| Molecular Formula | C30H44N3NaO6S |
| Exact Mass | 597.284852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oMKlS0o5y1 |
|---|---|
| Name | 19-OXOFASCIOSPONGINE_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44N3NaO6S |
| InChI | InChI=1S/C30H45N3O6S.Na/c1-21-10-11-25-26(9-6-14-29(25,2)3)30(21,4)15-12-22(19-39-40(36,37)38)7-5-8-23-17-27(34)33(28(23)35)16-13-24-18-31-20-32-24;/h9,17-18,20-22,25H,5-8,10-16,19H2,1-4H3,(H,31,32)(H,36,37,38);/q;+1/p-1/t21-,22?,25-,30-;/m0./s1 |
| InChIKey | TZSYRJXQEKBYBH-RFZRGUSWSA-M |
| Literature Reference Author | G.YAO,T.P.KONDRATYUK,G.T.TAN,J.M.PEZZUTO,L.C.CHANG |
| Literature Reference Citation | J.NAT.PROD.,72,319(2009) |
| Literature Reference DOI | 10.1021/np8005343 |
| Molecular Weight | 597.746 g/mol |
| Sample ID | 32239 |
| Solvent | CD3OD |