| SpectraBase Compound ID | 5NnCNYW0QsF |
|---|---|
| InChI | InChI=1S/C57H96O28/c1-21(19-75-50-43(69)40(66)36(62)30(16-58)79-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)78-54-49(84-53-46(72)42(68)38(64)32(18-60)81-53)47(73)48(83-52-45(71)39(65)35(61)23(3)77-52)33(82-54)20-76-51-44(70)41(67)37(63)31(17-59)80-51/h21-54,58-74H,6-20H2,1-5H3/t21-,22-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38-,39-,40+,41+,42+,43-,44-,45-,46-,47-,48+,49+,50-,51-,52+,53+,54+,55-,56-,57+/m0/s1 |
| InChIKey | SUHZCFHVHYUSEP-YPBJNSDUSA-N |
| Mol Weight | 1229.4 g/mol |
| Molecular Formula | C57H96O28 |
| Exact Mass | 1228.608812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DRTzNgNk4A2 |
|---|---|
| Name | SARSAPARILLOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H96O28 |
| InChI | InChI=1S/C57H96O28/c1-21(19-75-50-43(69)40(66)36(62)30(16-58)79-50)8-13-57(74)22(2)34-29(85-57)15-28-26-7-6-24-14-25(9-11-55(24,4)27(26)10-12-56(28,34)5)78-54-49(84-53-46(72)42(68)38(64)32(18-60)81-53)47(73)48(83-52-45(71)39(65)35(61)23(3)77-52)33(82-54)20-76-51-44(70)41(67)37(63)31(17-59)80-51/h21-54,58-74H,6-20H2,1-5H3/t21-,22-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38-,39-,40+,41+,42+,43-,44-,45-,46-,47-,48+,49+,50-,51-,52+,53+,54+,55-,56-,57+/m0/s1 |
| InChIKey | SUHZCFHVHYUSEP-YPBJNSDUSA-N |
| Literature Reference Author | V.L.CHALLINOR,S.PIACENTE,J.J.DEVOSS |
| Literature Reference Citation | STEROIDS,77,602(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.02.002 |
| Molecular Weight | 1229.372 g/mol |
| Sample ID | 968850 |
| Solvent | CD3OD |