| SpectraBase Compound ID | Hbk8nzgXDQt |
|---|---|
| InChI | InChI=1S/C39H50O23/c1-12-23(42)28(47)32(51)36(56-12)55-11-21-27(46)31(50)35(62-38-34(53)30(49)26(45)20(9-40)60-38)39(61-21)58-15-5-3-14(4-6-15)17-10-54-19-8-16(7-18(41)22(19)25(17)44)59-37-33(52)29(48)24(43)13(2)57-37/h3-8,10,12-13,20-21,23-24,26-43,45-53H,9,11H2,1-2H3/t12-,13+,20-,21-,23-,24+,26-,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-/m0/s1 |
| InChIKey | MIWHJCSFQVQUHS-OPCIKPGJSA-N |
| Mol Weight | 886.8 g/mol |
| Molecular Formula | C39H50O23 |
| Exact Mass | 886.274288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DniVCIFGvyn |
|---|---|
| Name | GENISTEIN_7-O-ALPHA-L-RHAMNOPYRANOSIDE-4'-O-(6'''-O-ALPHA-L-RHAMNOPYRANOYL)-BETA-SOPHOROSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50O23 |
| InChI | InChI=1S/C39H50O23/c1-12-23(42)28(47)32(51)36(56-12)55-11-21-27(46)31(50)35(62-38-34(53)30(49)26(45)20(9-40)60-38)39(61-21)58-15-5-3-14(4-6-15)17-10-54-19-8-16(7-18(41)22(19)25(17)44)59-37-33(52)29(48)24(43)13(2)57-37/h3-8,10,12-13,20-21,23-24,26-43,45-53H,9,11H2,1-2H3/t12-,13+,20-,21-,23-,24+,26-,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-/m0/s1 |
| InChIKey | MIWHJCSFQVQUHS-OPCIKPGJSA-N |
| Literature Reference Author | Y.TANG,R.YANG,J.DUAN,E.SHANG,S.SU,M.ZHU,D.QIAN |
| Literature Reference Citation | J.NAT.PROD.,71,448(2008) |
| Literature Reference DOI | 10.1021/np070396t |
| Molecular Weight | 886.812 g/mol |
| Sample ID | 27476 |
| Solvent | DMSO-D6 |