| SpectraBase Compound ID | JilLIUxe723 |
|---|---|
| InChI | InChI=1S/C57H86O22/c1-27(70-31(5)59)34-18-21-57(66)35-17-20-56(65)25-33(16-19-54(56,6)36(35)22-40(55(34,57)7)76-51(64)32-14-12-11-13-15-32)74-41-23-37(67-8)47(28(2)71-41)77-42-24-38(68-9)48(29(3)72-42)78-53-46(63)50(69-10)49(30(4)73-53)79-52-45(62)44(61)43(60)39(26-58)75-52/h11-15,17,20,27-30,33-50,52-53,58,60-63,65-66H,16,18-19,21-26H2,1-10H3/t27-,28+,29-,30+,33-,34+,35+,36-,37-,38+,39-,40+,41-,42+,43-,44+,45-,46+,47+,48-,49+,50-,52+,53-,54+,55-,56+,57-/m0/s1 |
| InChIKey | OQKFTDJVCAXIBH-PNBQJINTSA-N |
| Mol Weight | 1123.3 g/mol |
| Molecular Formula | C57H86O22 |
| Exact Mass | 1122.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BHeuV5o4SkW |
|---|---|
| Name | #4;CARATUBERISIDE-F;12-O-BENZOYL-20-O-ACETYL-3-BETA,5-ALPHA,12-BETA,14-BETA,20-BETA-PENTAHYDROXY-20S-PREGN-6-ENE-6-DEOXY-3-O-METHYL-BETA-D-GLUCOPYRANOSYL-(1->4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H86O22 |
| InChI | InChI=1S/C57H86O22/c1-27(70-31(5)59)34-18-21-57(66)35-17-20-56(65)25-33(16-19-54(56,6)36(35)22-40(55(34,57)7)76-51(64)32-14-12-11-13-15-32)74-41-23-37(67-8)47(28(2)71-41)77-42-24-38(68-9)48(29(3)72-42)78-53-46(63)50(69-10)49(30(4)73-53)79-52-45(62)44(61)43(60)39(26-58)75-52/h11-15,17,20,27-30,33-50,52-53,58,60-63,65-66H,16,18-19,21-26H2,1-10H3/t27-,28+,29-,30+,33-,34+,35+,36-,37-,38+,39-,40+,41-,42+,43-,44+,45-,46+,47+,48-,49+,50-,52+,53-,54+,55-,56+,57-/m0/s1 |
| InChIKey | OQKFTDJVCAXIBH-PNBQJINTSA-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 | 1123.297 g/mol |
| Sample ID | 63196 |
| Solvent | CD3OD |