| SpectraBase Compound ID | 2kOPAYk5Jgn |
|---|---|
| InChI | InChI=1S/C42H72O36/c43-1-8-15(50)17(52)24(59)37(67-8)78-35-16(51)9(2-44)68-42(29(35)64)77-34-14(7-49)72-41(28(63)22(34)57)76-33-13(6-48)71-40(27(62)21(33)56)75-32-12(5-47)70-39(26(61)20(32)55)74-31-11(4-46)69-38(25(60)19(31)54)73-30-10(3-45)66-36(65)23(58)18(30)53/h8-65H,1-7H2/t8-,9-,10+,11-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42+/m1/s1 |
| InChIKey | RPTBBLVTFNMBKD-XGCHGPOJSA-N |
| Mol Weight | 1153.0 g/mol |
| Molecular Formula | C42H72O36 |
| Exact Mass | 1152.380329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FC8ljl3GXq6 |
|---|---|
| Name | BETA-GLC-BETA-3-GLC-BETA-4-GLC-BETA-4-GLC-BETA-4-GLC-BETA-4-GLC-BETA-4-GLC |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O36 |
| InChI | InChI=1S/C42H72O36/c43-1-8-15(50)17(52)24(59)37(67-8)78-35-16(51)9(2-44)68-42(29(35)64)77-34-14(7-49)72-41(28(63)22(34)57)76-33-13(6-48)71-40(27(62)21(33)56)75-32-12(5-47)70-39(26(61)20(32)55)74-31-11(4-46)69-38(25(60)19(31)54)73-30-10(3-45)66-36(65)23(58)18(30)53/h8-65H,1-7H2/t8-,9-,10+,11-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42+/m1/s1 |
| InChIKey | RPTBBLVTFNMBKD-XGCHGPOJSA-N |
| Literature Reference Author | M.HRMOVA,G.B.FINCHER,J.L.VILADOT,A.PLANAS,H.DRIGUEZ |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3571(1998) |
| Literature Reference DOI | 10.1039/a804711a |
| Molecular Weight | 1153.012 g/mol |
| Solvent | DMSO-D6:D2O |
| Source File Reference | UWCP12188 |