| SpectraBase Compound ID | BERS0Zgymq7 |
|---|---|
| InChI | InChI=1S/C57H86O21/c1-27(69-31(5)59)35-19-21-57(65)36-17-16-33-22-34(18-20-55(33,6)37(36)23-41(56(35,57)7)75-52(64)32-14-12-11-13-15-32)73-42-24-38(66-8)48(28(2)70-42)76-43-25-39(67-9)49(29(3)71-43)77-54-47(63)51(68-10)50(30(4)72-54)78-53-46(62)45(61)44(60)40(26-58)74-53/h11-16,27-30,34-51,53-54,58,60-63,65H,17-26H2,1-10H3/t27-,28+,29-,30+,34-,35+,36+,37-,38-,39+,40-,41+,42-,43+,44-,45+,46-,47+,48+,49-,50+,51-,53+,54-,55-,56-,57-/m0/s1 |
| InChIKey | JGMHNSHUSYJBDP-UOUCYNQLSA-N |
| Mol Weight | 1107.3 g/mol |
| Molecular Formula | C57H86O21 |
| Exact Mass | 1106.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AtK1ike9pgx |
|---|---|
| Name | #6;RUSSELIOSIDE-E;12-O-BENZOYL-20-O-ACETYL-3-BETA,12-BETA,14-BETA,20-BETA-TETRAHYDROXY-20S-PREGN-5-ENE-BETA-D-GLUCOPYRANOSYL-(1->4)-6-DEOXY-3-O-METHYL-BETA-D-C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H86O21 |
| InChI | InChI=1S/C57H86O21/c1-27(69-31(5)59)35-19-21-57(65)36-17-16-33-22-34(18-20-55(33,6)37(36)23-41(56(35,57)7)75-52(64)32-14-12-11-13-15-32)73-42-24-38(66-8)48(28(2)70-42)76-43-25-39(67-9)49(29(3)71-43)77-54-47(63)51(68-10)50(30(4)72-54)78-53-46(62)45(61)44(60)40(26-58)74-53/h11-16,27-30,34-51,53-54,58,60-63,65H,17-26H2,1-10H3/t27-,28+,29-,30+,34-,35+,36+,37-,38-,39+,40-,41+,42-,43+,44-,45+,46-,47+,48+,49-,50+,51-,53+,54-,55-,56-,57-/m0/s1 |
| InChIKey | JGMHNSHUSYJBDP-UOUCYNQLSA-N |
| Literature Reference Author | E.ABDEL-SATTAR,F.M.HARRAZ,S.M.A.AL-ANSARI,S.EL-MEKKAWY,C.ICH INO,H.KIYOHARA,A.ISH |
| Literature Reference Citation | PHYTOCHEM.,69,2180(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.05.017 |
| Molecular Weight | 1107.297 g/mol |
| Sample ID | 63198 |
| Solvent | CD3OD |