| SpectraBase Compound ID | 8w4FZxxA6f5 |
|---|---|
| InChI | InChI=1S/C51H76O17/c1-25(61-29(5)52)33-17-19-51(57)41-34(22-38(50(33,51)7)66-47(56)30-14-12-11-13-15-30)49(6)18-16-32(20-31(49)21-35(41)53)65-39-23-36(58-8)44(27(3)62-39)67-40-24-37(59-9)45(28(4)63-40)68-48-43(55)46(60-10)42(54)26(2)64-48/h11-15,21,25-28,32-46,48,53-55,57H,16-20,22-24H2,1-10H3/t25-,26+,27-,28-,32-,33+,34-,35+,36+,37+,38+,39-,40+,41-,42+,43-,44+,45-,46+,48-,49-,50-,51-/m0/s1 |
| InChIKey | NUTMBPBACYSVHF-HBMVDTLXSA-N |
| Mol Weight | 961.2 g/mol |
| Molecular Formula | C51H76O17 |
| Exact Mass | 960.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWfLNVM8ENq |
|---|---|
| Name | #2;CARATUBERISIDE-D;12-O-BENZOYL-20-O-ACETYL-3-BETA,7-ALPHA,12-BETA,14-BETA,20-BETA-PENTAHYDROXY-20S-PREGN-5-ENE-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H76O17 |
| InChI | InChI=1S/C51H76O17/c1-25(61-29(5)52)33-17-19-51(57)41-34(22-38(50(33,51)7)66-47(56)30-14-12-11-13-15-30)49(6)18-16-32(20-31(49)21-35(41)53)65-39-23-36(58-8)44(27(3)62-39)67-40-24-37(59-9)45(28(4)63-40)68-48-43(55)46(60-10)42(54)26(2)64-48/h11-15,21,25-28,32-46,48,53-55,57H,16-20,22-24H2,1-10H3/t25-,26+,27-,28-,32-,33+,34-,35+,36+,37+,38+,39-,40+,41-,42+,43-,44+,45-,46+,48-,49-,50-,51-/m0/s1 |
| InChIKey | NUTMBPBACYSVHF-HBMVDTLXSA-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 | 961.154 g/mol |
| Sample ID | 63194 |
| Solvent | CD3OD |