| SpectraBase Compound ID | LRubj876fsq |
|---|---|
| InChI | InChI=1S/C26H39N5O11S/c1-5-26(3)21(24(39)29-9-18(34)35)31-22(37)11(2)30-23(38)19(28-4)20(36)13-7-16(42-26)15(33)8-17(13)43-10-12(32)6-14(27)25(40)41/h7-8,11-12,14,19-21,28,32-33,36H,5-6,9-10,27H2,1-4H3,(H,29,39)(H,30,38)(H,31,37)(H,34,35)(H,40,41)/t11-,12+,14+,19-,20-,21+,26+/m0/s1 |
| InChIKey | LBQBODXFPFCPEK-BBYSZZEGSA-N |
| Mol Weight | 629.7 g/mol |
| Molecular Formula | C26H39N5O11S |
| Exact Mass | 629.236678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5SHAQovX1CW |
|---|---|
| Name | USTILOXIN-B |
| CAS Registry Number | 151841-41-7 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H39N5O11S |
| InChI | InChI=1S/C26H39N5O11S/c1-5-26(3)21(24(39)29-9-18(34)35)31-22(37)11(2)30-23(38)19(28-4)20(36)13-7-16(42-26)15(33)8-17(13)43-10-12(32)6-14(27)25(40)41/h7-8,11-12,14,19-21,28,32-33,36H,5-6,9-10,27H2,1-4H3,(H,29,39)(H,30,38)(H,31,37)(H,34,35)(H,40,41)/t11-,12+,14+,19-,20-,21+,26+/m0/s1 |
| InChIKey | LBQBODXFPFCPEK-BBYSZZEGSA-N |
| Literature Reference Author | Y.KOISO,N.MORISAKI,Y.YAMASHITA,Y.MITSUI,R.SHIRAI,Y.HASHIMOTO ,S.IWASAKI |
| Literature Reference Citation | J.ANTIBIOTICS,51,418(1998) |
| Literature Reference DOI | 10.7164/antibiotics.51.418 |
| Molecular Weight | 629.683 g/mol |
| Solvent | D2O |