| SpectraBase Compound ID | 87QZxmXc4f8 |
|---|---|
| InChI | InChI=1S/C55H86O20/c1-25-46(58)36(59-8)18-43(65-25)74-50-29(5)68-44(20-38(50)61-10)72-47-26(2)66-41(17-33(47)56)73-48-28(4)69-45(21-39(48)62-11)75-49-27(3)67-42(19-37(49)60-9)70-35-16-30-12-13-31-32(53(30,6)22-34(35)57)14-15-55-24-64-54(7)51(55)40(23-63-54)71-52(31)55/h12,25-29,32-51,56-58H,13-24H2,1-11H3/t25-,26+,27+,28+,29-,32+,33-,34-,35-,36+,37-,38+,39-,40-,41-,42-,43-,44+,45+,46-,47+,48-,49+,50-,51-,53+,54-,55+/m1/s1 |
| InChIKey | GXCADQPQPVCBAZ-ORVITNCBSA-N |
| Mol Weight | 1067.3 g/mol |
| Molecular Formula | C55H86O20 |
| Exact Mass | 1066.571245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EPDOCWbP3yn |
|---|---|
| Name | SUBLANCEOSIDE-K4 |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H86O20 |
| InChI | InChI=1S/C55H86O20/c1-25-46(58)36(59-8)18-43(65-25)74-50-29(5)68-44(20-38(50)61-10)72-47-26(2)66-41(17-33(47)56)73-48-28(4)69-45(21-39(48)62-11)75-49-27(3)67-42(19-37(49)60-9)70-35-16-30-12-13-31-32(53(30,6)22-34(35)57)14-15-55-24-64-54(7)51(55)40(23-63-54)71-52(31)55/h12,25-29,32-51,56-58H,13-24H2,1-11H3/t25-,26+,27+,28+,29-,32+,33-,34-,35-,36+,37-,38+,39-,40-,41-,42-,43-,44+,45+,46-,47+,48-,49+,50-,51-,53+,54-,55+/m1/s1 |
| InChIKey | GXCADQPQPVCBAZ-ORVITNCBSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1551(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1551 |
| Molecular Weight | 1067.276 g/mol |
| Sample ID | 55396 |
| Solvent | C5D5N |