| SpectraBase Compound ID | DX06PYOsx8T |
|---|---|
| InChI | InChI=1S/C60H92N16O23S2/c1-3-32(2)51-58(96)68-37(13-15-43(62)78)54(92)70-39(24-44(63)79)55(93)71-40(31-101-100-30-35(61)52(90)69-38(56(94)72-51)23-33-9-11-34(77)12-10-33)59(97)76-18-6-8-41(76)57(95)67-36(53(91)66-25-45(64)80)7-4-5-17-65-46(81)16-14-42(60(98)99)75(21-19-73(26-47(82)83)27-48(84)85)22-20-74(28-49(86)87)29-50(88)89/h9-12,32,35-42,51,77H,3-8,13-31,61H2,1-2H3,(H2,62,78)(H2,63,79)(H2,64,80)(H,65,81)(H,66,91)(H,67,95)(H,68,96)(H,69,90)(H,70,92)(H,71,93)(H,72,94)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,98,99)/t32?,35-,36+,37-,38-,39+,40-,41-,42?,51+/m1/s1 |
| InChIKey | UMCGTULIFVCTPB-MOYQQRBESA-N |
| Mol Weight | 1469.6 g/mol |
| Molecular Formula | C60H92N16O23S2 |
| Exact Mass | 1468.596266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E38dPfhBVvB |
|---|---|
| Name | UMCGTULIFVCTPB-MOYQQRBESA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H92N16O23S2 |
| InChI | InChI=1S/C60H92N16O23S2/c1-3-32(2)51-58(96)68-37(13-15-43(62)78)54(92)70-39(24-44(63)79)55(93)71-40(31-101-100-30-35(61)52(90)69-38(56(94)72-51)23-33-9-11-34(77)12-10-33)59(97)76-18-6-8-41(76)57(95)67-36(53(91)66-25-45(64)80)7-4-5-17-65-46(81)16-14-42(60(98)99)75(21-19-73(26-47(82)83)27-48(84)85)22-20-74(28-49(86)87)29-50(88)89/h9-12,32,35-42,51,77H,3-8,13-31,61H2,1-2H3,(H2,62,78)(H2,63,79)(H2,64,80)(H,65,81)(H,66,91)(H,67,95)(H,68,96)(H,69,90)(H,70,92)(H,71,93)(H,72,94)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,98,99)/t32?,35-,36+,37-,38-,39+,40-,41-,42?,51+/m1/s1 |
| InChIKey | UMCGTULIFVCTPB-MOYQQRBESA-N |
| Literature Reference Author | L.CALABI,L.BIONDI,M.D.MIRANDA,S.GHELLI,C.MORA,L.PALEARI,C.RE BAUDENGO,C.UMBELLI |
| Literature Reference Citation | MAGN.RES.CHEM.,43,654(2005) |
| Literature Reference DOI | 10.1002/mrc.1610 |
| Molecular Weight | 1469.604 g/mol |
| Sample ID | 32796 |
| Solvent | D2O |