| SpectraBase Compound ID | CvcSmXy4MXH |
|---|---|
| InChI | InChI=1S/C45H70O18/c1-18-7-12-45(56-17-18)19(2)29-26(63-45)13-24-22-8-11-44(55)15-27(25(47)14-43(44,6)23(22)9-10-42(24,29)5)59-41-38(62-40-36(54)34(52)31(49)21(4)58-40)37(32(50)28(16-46)60-41)61-39-35(53)33(51)30(48)20(3)57-39/h8-9,18-21,24-41,46-55H,7,10-17H2,1-6H3/t18-,19-,20-,21+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33+,34-,35-,36-,37+,38-,39+,40+,41-,42-,43+,44+,45+/m0/s1 |
| InChIKey | ZWMXZUJKMYXLKY-IAJRLGRLSA-N |
| Mol Weight | 899.0 g/mol |
| Molecular Formula | C45H70O18 |
| Exact Mass | 898.456215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3HAWOo09c9 |
|---|---|
| Name | ZWMXZUJKMYXLKY-IAJRLGRLSA-N |
| Compound Number | 96 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O18 |
| InChI | InChI=1S/C45H70O18/c1-18-7-12-45(56-17-18)19(2)29-26(63-45)13-24-22-8-11-44(55)15-27(25(47)14-43(44,6)23(22)9-10-42(24,29)5)59-41-38(62-40-36(54)34(52)31(49)21(4)58-40)37(32(50)28(16-46)60-41)61-39-35(53)33(51)30(48)20(3)57-39/h8-9,18-21,24-41,46-55H,7,10-17H2,1-6H3/t18-,19-,20-,21+,24-,25+,26-,27+,28-,29-,30+,31+,32-,33+,34-,35-,36-,37+,38-,39+,40+,41-,42-,43+,44+,45+/m0/s1 |
| InChIKey | ZWMXZUJKMYXLKY-IAJRLGRLSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 899.040 g/mol |
| Solvent | C5D5N |