| SpectraBase Compound ID | IWUmqIyI2We |
|---|---|
| InChI | InChI=1S/C39H67N5O18S/c1-18-28(50)31(53)34(56-3)37(58-18)62-35-32(54)29(51)21(15-45)60-38(35)61-33-27(42-19(2)47)36(59-22(16-46)30(33)52)57-14-8-4-5-10-24(48)40-12-13-41-25(49)11-7-6-9-23-26-20(17-63-23)43-39(55)44-26/h18,20-23,26-38,45-46,50-54H,4-17H2,1-3H3,(H,40,48)(H,41,49)(H,42,47)(H2,43,44,55)/t18-,20+,21-,22-,23+,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1 |
| InChIKey | DNGIJGPVUWRFOC-SZTGSSRISA-N |
| Mol Weight | 926.0 g/mol |
| Molecular Formula | C39H67N5O18S |
| Exact Mass | 925.420181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sLnqi67BoH |
|---|---|
| Name | DNGIJGPVUWRFOC-SZTGSSRISA-N |
| Compound Number | C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H67N5O18S |
| InChI | InChI=1S/C39H67N5O18S/c1-18-28(50)31(53)34(56-3)37(58-18)62-35-32(54)29(51)21(15-45)60-38(35)61-33-27(42-19(2)47)36(59-22(16-46)30(33)52)57-14-8-4-5-10-24(48)40-12-13-41-25(49)11-7-6-9-23-26-20(17-63-23)43-39(55)44-26/h18,20-23,26-38,45-46,50-54H,4-17H2,1-3H3,(H,40,48)(H,41,49)(H,42,47)(H2,43,44,55)/t18-,20+,21-,22-,23+,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37-,38+/m0/s1 |
| InChIKey | DNGIJGPVUWRFOC-SZTGSSRISA-N |
| Literature Reference Author | A.KOIZUMI,K.YAMANO,T.TSUCHIYA,F.SCHWEIZER,F.KIUCHI,N.HADA |
| Literature Reference Citation | MOLECULES,17,9023(2012) |
| Literature Reference DOI | 10.3390/molecules17089023 |
| Molecular Weight | 926.044 g/mol |
| Sample ID | 1333 |
| Solvent | D2O |