| SpectraBase Compound ID | KxLP3tZvMD6 |
|---|---|
| InChI | InChI=1S/C46H45N7O14S/c1-27(55)64-38-32(33(18-21-54)65-43(38)53-26-49-36-39(47-25-48-40(36)53)51-41(57)28-11-5-2-6-12-28)24-68(61,62)22-19-34-31(23-63-44(58)29-13-7-3-8-14-29)37(67-45(59)30-15-9-4-10-16-30)42(66-34)52-20-17-35(56)50-46(52)60/h2-17,20,25-26,31-34,37-38,42-43,54H,18-19,21-24H2,1H3,(H,50,56,60)(H,47,48,51,57)/t31-,32+,33+,34-,37-,38+,42-,43+/m1/s1 |
| InChIKey | ZBXWHEMFNCXJGO-RBNVRZOZSA-N |
| Mol Weight | 952.0 g/mol |
| Molecular Formula | C46H45N7O14S |
| Exact Mass | 951.27452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ANTwlMvnsfP |
|---|---|
| Name | ZBXWHEMFNCXJGO-RBNVRZOZSA-N |
| Compound Number | 39 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H45N7O14S |
| InChI | InChI=1S/C46H45N7O14S/c1-27(55)64-38-32(33(18-21-54)65-43(38)53-26-49-36-39(47-25-48-40(36)53)51-41(57)28-11-5-2-6-12-28)24-68(61,62)22-19-34-31(23-63-44(58)29-13-7-3-8-14-29)37(67-45(59)30-15-9-4-10-16-30)42(66-34)52-20-17-35(56)50-46(52)60/h2-17,20,25-26,31-34,37-38,42-43,54H,18-19,21-24H2,1H3,(H,50,56,60)(H,47,48,51,57)/t31-,32+,33+,34-,37-,38+,42-,43+/m1/s1 |
| InChIKey | ZBXWHEMFNCXJGO-RBNVRZOZSA-N |
| Literature Reference Author | C.RICHERT,A.L.ROUGHTON,S.A.BENNER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,4518(1996) |
| Literature Reference DOI | 10.1021/ja952322m |
| Molecular Weight | 951.962 g/mol |
| Sample ID | 57110 |
| Solvent | CDCl3 |