| SpectraBase Compound ID | CeSzLA4EjUh |
|---|---|
| InChI | InChI=1S/C44H62N12O11S2/c1-25-38(61)54-32(21-35(45)58)41(64)55-33(43(66)56-17-6-10-34(56)42(65)53-30(9-5-16-49-44(47)48)39(62)50-22-36(46)59)24-69-68-18-15-37(60)52-31(20-27-11-13-29(57)14-12-27)40(63)51-28(23-67-25)19-26-7-3-2-4-8-26/h2-4,7-8,11-14,25,28,30-34,57H,5-6,9-10,15-24H2,1H3,(H2,45,58)(H2,46,59)(H,50,62)(H,51,63)(H,52,60)(H,53,65)(H,54,61)(H,55,64)(H4,47,48,49)/t25-,28-,30+,31-,32+,33+,34+/m0/s1 |
| InChIKey | KVKVISITFBETAG-ZHRRRDCSSA-N |
| Mol Weight | 999.2 g/mol |
| Molecular Formula | C44H62N12O11S2 |
| Exact Mass | 998.410243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyTPB1EQ3N6 |
|---|---|
| Name | KVKVISITFBETAG-ZHRRRDCSSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H62N12O11S2 |
| InChI | InChI=1S/C44H62N12O11S2/c1-25-38(61)54-32(21-35(45)58)41(64)55-33(43(66)56-17-6-10-34(56)42(65)53-30(9-5-16-49-44(47)48)39(62)50-22-36(46)59)24-69-68-18-15-37(60)52-31(20-27-11-13-29(57)14-12-27)40(63)51-28(23-67-25)19-26-7-3-2-4-8-26/h2-4,7-8,11-14,25,28,30-34,57H,5-6,9-10,15-24H2,1H3,(H2,45,58)(H2,46,59)(H,50,62)(H,51,63)(H,52,60)(H,53,65)(H,54,61)(H,55,64)(H4,47,48,49)/t25-,28-,30+,31-,32+,33+,34+/m0/s1 |
| InChIKey | KVKVISITFBETAG-ZHRRRDCSSA-N |
| Literature Reference Author | M.HEDENSTROEM,Z.Q.YUAN,K.BRICKMANN,J.CARLSSON,K.EKHOLM,B.JOH ANSSON,E.KREUTZ,A.NI |
| Literature Reference Citation | J.MED.CHEM.,45,2501(2002) |
| Literature Reference DOI | 10.1021/jm011073b |
| Molecular Weight | 999.170 g/mol |
| Sample ID | 64399 |
| Solvent | H2O:D2O=9:1 |