| SpectraBase Compound ID | EG8Lu3znhll |
|---|---|
| InChI | InChI=1S/C45H62N12O11S2/c1-25-43(66)57-23-35(68-25)30(19-26-7-3-2-4-8-26)54-40(63)31(20-27-11-13-28(58)14-12-27)52-38(61)15-18-69-70-24-32(55-42(65)34(57)21-36(46)59)44(67)56-17-6-10-33(56)41(64)53-29(9-5-16-50-45(48)49)39(62)51-22-37(47)60/h2-4,7-8,11-14,25,29-35,58H,5-6,9-10,15-24H2,1H3,(H2,46,59)(H2,47,60)(H,51,62)(H,52,61)(H,53,64)(H,54,63)(H,55,65)(H4,48,49,50)/t25-,29+,30-,31-,32+,33+,34+,35-/m0/s1 |
| InChIKey | PDSZWOVQOJGTRZ-SUNLCDKVSA-N |
| Mol Weight | 1011.2 g/mol |
| Molecular Formula | C45H62N12O11S2 |
| Exact Mass | 1010.410243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80MoCyVOdCP |
|---|---|
| Name | PDSZWOVQOJGTRZ-SUNLCDKVSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H62N12O11S2 |
| InChI | InChI=1S/C45H62N12O11S2/c1-25-43(66)57-23-35(68-25)30(19-26-7-3-2-4-8-26)54-40(63)31(20-27-11-13-28(58)14-12-27)52-38(61)15-18-69-70-24-32(55-42(65)34(57)21-36(46)59)44(67)56-17-6-10-33(56)41(64)53-29(9-5-16-50-45(48)49)39(62)51-22-37(47)60/h2-4,7-8,11-14,25,29-35,58H,5-6,9-10,15-24H2,1H3,(H2,46,59)(H2,47,60)(H,51,62)(H,52,61)(H,53,64)(H,54,63)(H,55,65)(H4,48,49,50)/t25-,29+,30-,31-,32+,33+,34+,35-/m0/s1 |
| InChIKey | PDSZWOVQOJGTRZ-SUNLCDKVSA-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 | 1011.181 g/mol |
| Sample ID | 64398 |
| Solvent | H2O:D2O=9:1 |