| SpectraBase Compound ID | DwiVgFJaUgW |
|---|---|
| InChI | InChI=1S/C54H84O19/c1-25-32(16-17-63-25)33-14-15-35-34(49(33)58)13-12-31-18-38(37(56)24-54(31,35)7)69-44-21-40(60-9)52(28(4)66-44)73-47-23-42(62-11)51(29(5)68-47)71-43-19-36(55)50(27(3)65-43)70-46-22-41(61-10)53(30(6)67-46)72-45-20-39(59-8)48(57)26(2)64-45/h12,16-17,26-30,33-48,50-53,55-57H,13-15,18-24H2,1-11H3/t26-,27+,28+,29+,30-,33-,34-,35+,36-,37-,38-,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,50+,51-,52+,53-,54+/m1/s1 |
| InChIKey | VKNJQJSHZVCRKD-ORRZJHRRSA-N |
| Mol Weight | 1037.2 g/mol |
| Molecular Formula | C54H84O19 |
| Exact Mass | 1036.56068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11glKnhAjd1 |
|---|---|
| Name | SUBLANCEOSIDE-K1 |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O19 |
| InChI | InChI=1S/C54H84O19/c1-25-32(16-17-63-25)33-14-15-35-34(49(33)58)13-12-31-18-38(37(56)24-54(31,35)7)69-44-21-40(60-9)52(28(4)66-44)73-47-23-42(62-11)51(29(5)68-47)71-43-19-36(55)50(27(3)65-43)70-46-22-41(61-10)53(30(6)67-46)72-45-20-39(59-8)48(57)26(2)64-45/h12,16-17,26-30,33-48,50-53,55-57H,13-15,18-24H2,1-11H3/t26-,27+,28+,29+,30-,33-,34-,35+,36-,37-,38-,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,50+,51-,52+,53-,54+/m1/s1 |
| InChIKey | VKNJQJSHZVCRKD-ORRZJHRRSA-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 | 1037.250 g/mol |
| Sample ID | 55394 |
| Solvent | C5D5N |