| SpectraBase Compound ID | LRbBL2YnUWc |
|---|---|
| InChI | InChI=1S/C38H65N5O18S/c1-17-27(49)30(52)32(54)36(57-17)61-34-31(53)28(50)20(14-44)59-37(34)60-33-26(41-18(2)46)35(58-21(15-45)29(33)51)56-13-7-3-4-9-23(47)39-11-12-40-24(48)10-6-5-8-22-25-19(16-62-22)42-38(55)43-25/h17,19-22,25-37,44-45,49-54H,3-16H2,1-2H3,(H,39,47)(H,40,48)(H,41,46)(H2,42,43,55)/t17-,19+,20-,21-,22+,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,36-,37+/m0/s1 |
| InChIKey | YUVCAPWIVPBLSN-HQJMRISOSA-N |
| Mol Weight | 912.0 g/mol |
| Molecular Formula | C38H65N5O18S |
| Exact Mass | 911.404531 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KbGzk8K7qkl |
|---|---|
| Name | YUVCAPWIVPBLSN-HQJMRISOSA-N |
| Compound Number | D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H65N5O18S |
| InChI | InChI=1S/C38H65N5O18S/c1-17-27(49)30(52)32(54)36(57-17)61-34-31(53)28(50)20(14-44)59-37(34)60-33-26(41-18(2)46)35(58-21(15-45)29(33)51)56-13-7-3-4-9-23(47)39-11-12-40-24(48)10-6-5-8-22-25-19(16-62-22)42-38(55)43-25/h17,19-22,25-37,44-45,49-54H,3-16H2,1-2H3,(H,39,47)(H,40,48)(H,41,46)(H2,42,43,55)/t17-,19+,20-,21-,22+,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,36-,37+/m0/s1 |
| InChIKey | YUVCAPWIVPBLSN-HQJMRISOSA-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 | 912.017 g/mol |
| Sample ID | 1339 |
| Solvent | D2O |