| SpectraBase Compound ID | LO8wqu9DmjT |
|---|---|
| InChI | InChI=1S/C42H75N3O16/c1-21(24-7-8-25-32-26(18-30(52)42(24,25)3)41(2)11-10-23(48)16-22(41)17-27(32)49)6-9-31(53)45(14-4-12-43-39(60)37(58)35(56)33(54)28(50)19-46)15-5-13-44-40(61)38(59)36(57)34(55)29(51)20-47/h21-30,32-38,46-52,54-59H,4-20H2,1-3H3,(H,43,60)(H,44,61)/t21-,22+,23-,24-,25+,26+,27-,28?,29?,30+,32+,33?,34?,35?,36?,37?,38?,41+,42-/m1/s1 |
| InChIKey | ZWEVPYNPHSPIFU-FWKUANMISA-N |
| Mol Weight | 878.1 g/mol |
| Molecular Formula | C42H75N3O16 |
| Exact Mass | 877.514733 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | BlWyfUzzmTl |
|---|---|
| Name | BigCHAP |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 343900 |
| CAS Registry Number | 86303-22-2 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H75N3O16 |
| InChI | InChI=1S/C42H75N3O16/c1-21(24-7-8-25-32-26(18-30(52)42(24,25)3)41(2)11-10-23(48)16-22(41)17-27(32)49)6-9-31(53)45(14-4-12-43-39(60)37(58)35(56)33(54)28(50)19-46)15-5-13-44-40(61)38(59)36(57)34(55)29(51)20-47/h21-30,32-38,46-52,54-59H,4-20H2,1-3H3,(H,43,60)(H,44,61)/t21-,22+,23-,24-,25+,26+,27-,28?,29?,30+,32+,33?,34?,35?,36?,37?,38?,41+,42-/m1/s1 |
| InChIKey | ZWEVPYNPHSPIFU-FWKUANMISA-N |
| Observed nucleus | 13C |
| Purity | ~98% |
| Solvent | Methanol-d4 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | N,N-Bis[3-(D-gluconamido)propyl]cholamide |
| Wiley ID | SIAL_13CNMR_007123 |