| SpectraBase Compound ID | DE3aEOa3ug9 |
|---|---|
| InChI | InChI=1S/C30H28N6O8S5/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-49-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18-,19+,20+,25-,26+,27?,28+,29-,30+/m0/s1 |
| InChIKey | VZRUFALRKCRSRR-SOYRVIBPSA-N |
| Mol Weight | 760.9 g/mol |
| Molecular Formula | C30H28N6O8S5 |
| Exact Mass | 760.057218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErJrWk44R3I |
|---|---|
| Name | CHETRACIN_B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H28N6O8S5 |
| InChI | InChI=1S/C30H28N6O8S5/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-49-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18-,19+,20+,25-,26+,27?,28+,29-,30+/m0/s1 |
| InChIKey | VZRUFALRKCRSRR-SOYRVIBPSA-N |
| Literature Reference Author | L.LI,D.LI,Y.LUAN,Q.GU,T.ZHU |
| Literature Reference Citation | J.NAT.PROD.,75,920(2012) |
| Literature Reference DOI | 10.1021/np3000443 |
| Molecular Weight | 760.888 g/mol |
| Sample ID | 40413 |
| Solvent | CDCl3 |