| SpectraBase Compound ID | 5Vob8Rq8sP4 |
|---|---|
| InChI | InChI=1S/C24H20O14S2.2C3H9N3/c25-17-4-3-16(13-18(17)26)23-24(37-20-5-1-14(11-19(20)27)7-9-34-39(28,29)30)38-21-6-2-15(12-22(21)36-23)8-10-35-40(31,32)33;2*1-6(2)3(4)5/h1-13,23-27H,(H,28,29,30)(H,31,32,33);2*1-2H3,(H3,4,5)/b9-7+,10-8+;; |
| InChIKey | PHJFDJMRHVWKAR-QZKABRJGSA-N |
| Mol Weight | 770.78 g/mol |
| Molecular Formula | C30H38N6O14S2 |
| Exact Mass | 770.188742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EupAPX3ae8m |
|---|---|
| Name | PHJFDJMRHVWKAR-QZKABRJGSA-N |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38N6O14S2 |
| InChI | InChI=1S/C24H20O14S2.2C3H9N3/c25-17-4-3-16(13-18(17)26)23-24(37-20-5-1-14(11-19(20)27)7-9-34-39(28,29)30)38-21-6-2-15(12-22(21)36-23)8-10-35-40(31,32)33;2*1-6(2)3(4)5/h1-13,23-27H,(H,28,29,30)(H,31,32,33);2*1-2H3,(H3,4,5)/b9-7+,10-8+;; |
| InChIKey | PHJFDJMRHVWKAR-QZKABRJGSA-N |
| Literature Reference Author | Y.H.CHANG,D.SHIN,Z.NA,H.S.LEE,D.D.KIM,K.B.OH,J.SHIN |
| Literature Reference Citation | J.NAT.PROD.,71,779(2008) |
| Literature Reference DOI | 10.1021/np078015z |
| Molecular Weight | 770.784 g/mol |
| Sample ID | 28218 |
| Solvent | DMSO-D6 |