| SpectraBase Compound ID | 9dPeGJqU9t8 |
|---|---|
| InChI | InChI=1S/C31H30N6O6S5/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-45-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-48-46-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1 |
| InChIKey | DIUIQJFZKRAGBZ-YWZWRZHGSA-N |
| Mol Weight | 742.9 g/mol |
| Molecular Formula | C31H30N6O6S5 |
| Exact Mass | 742.083039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HS71jYCrFh |
|---|---|
| Name | CS-B;CHETOSEMINUDIN-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H30N6O6S5 |
| InChI | InChI=1S/C31H30N6O6S5/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-45-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-48-46-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1 |
| InChIKey | DIUIQJFZKRAGBZ-YWZWRZHGSA-N |
| Literature Reference Author | H.FUJIMOTO,M.SUMINO,E.OKUYAMA,M.ISHIBASHI |
| Literature Reference Citation | J.NAT.PROD.,67,98(2004) |
| Literature Reference DOI | 10.1021/np0302201 |
| Molecular Weight | 742.916 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP638 |