| SpectraBase Compound ID | TdxkB1CMSl |
|---|---|
| InChI | InChI=1S/C55H86O24/c1-23-33(58)36(61)40(65)46(73-23)78-43-27(20-56)75-44(42(67)38(43)63)71-22-29-34(59)37(62)41(66)47(76-29)79-49(70)55-17-15-51(5,48(68)69)19-26(55)25-9-10-31-52(6)13-12-32(77-45-39(64)35(60)28(21-72-45)74-24(2)57)50(3,4)30(52)11-14-54(31,8)53(25,7)16-18-55/h9,23,26-47,56,58-67H,10-22H2,1-8H3,(H,68,69)/t23-,26+,27-,28+,29-,30+,31-,32+,33-,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44-,45+,46-,47+,51-,52+,53-,54-,55+/m1/s1 |
| InChIKey | DGOOYYMQJBTVIX-YDMXUNCJSA-N |
| Mol Weight | 1131.3 g/mol |
| Molecular Formula | C55H86O24 |
| Exact Mass | 1130.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOFIYV3fNgR |
|---|---|
| Name | YIYELIANGWANOSIDE-IX;#1;3-O-ALPHA-(4'-O-ACETYL)-L-ARABINOPYRANOSYL-3-BETA-HYDROXY-OLEAN-12-ENE-28,29-DIOIC-ACID-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLU |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H86O24 |
| InChI | InChI=1S/C55H86O24/c1-23-33(58)36(61)40(65)46(73-23)78-43-27(20-56)75-44(42(67)38(43)63)71-22-29-34(59)37(62)41(66)47(76-29)79-49(70)55-17-15-51(5,48(68)69)19-26(55)25-9-10-31-52(6)13-12-32(77-45-39(64)35(60)28(21-72-45)74-24(2)57)50(3,4)30(52)11-14-54(31,8)53(25,7)16-18-55/h9,23,26-47,56,58-67H,10-22H2,1-8H3,(H,68,69)/t23-,26+,27-,28+,29-,30+,31-,32+,33-,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44-,45+,46-,47+,51-,52+,53-,54-,55+/m1/s1 |
| InChIKey | DGOOYYMQJBTVIX-YDMXUNCJSA-N |
| Literature Reference Author | S.S.YU,D.Q.YU,X.T.LIANG |
| Literature Reference Citation | PHYTOCHEM.,38,695(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00706-Y |
| Molecular Weight | 1131.273 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4900 |