![#5;3-BETA-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLOXY]-21-BETA-[(2,4-DI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-12-EN](/api/spectrum/5Z4WxppTHcB/structure.png?h=300&w=458 "#5;3-BETA-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLOXY]-21-BETA-[(2,4-DI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-12-EN")
| SpectraBase Compound ID | IH4LnsZAkST |
|---|---|
| InChI | InChI=1S/C51H80O21/c1-22-36(67-23(2)54)35(61)39(68-24(3)55)44(66-22)72-41-40(62)47(5)16-17-50(8)25(26(47)18-46(41,4)20-52)10-11-29-48(6)14-13-30(49(7,21-53)28(48)12-15-51(29,50)9)69-45-38(33(59)32(58)37(70-45)42(63)64)71-43-34(60)31(57)27(56)19-65-43/h10,22,26-41,43-45,52-53,56-62H,11-21H2,1-9H3,(H,63,64)/t22-,26-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41-,43-,44-,45+,46+,47+,48-,49-,50+,51+/m0/s1 |
| InChIKey | NNKZZSCQIGHSDP-QAXWQFECSA-N |
| Mol Weight | 1029.2 g/mol |
| Molecular Formula | C51H80O21 |
| Exact Mass | 1028.51921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Z4WxppTHcB |
|---|---|
| Name | #5;3-BETA-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYLOXY]-21-BETA-[(2,4-DI-O-ACETYL)-ALPHA-L-RHAMNOPYRANOSYLOXY]-22-BETA,23,29-TRIXYDROXYOLEAN-12-EN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O21 |
| InChI | InChI=1S/C51H80O21/c1-22-36(67-23(2)54)35(61)39(68-24(3)55)44(66-22)72-41-40(62)47(5)16-17-50(8)25(26(47)18-46(41,4)20-52)10-11-29-48(6)14-13-30(49(7,21-53)28(48)12-15-51(29,50)9)69-45-38(33(59)32(58)37(70-45)42(63)64)71-43-34(60)31(57)27(56)19-65-43/h10,22,26-41,43-45,52-53,56-62H,11-21H2,1-9H3,(H,63,64)/t22-,26-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41-,43-,44-,45+,46+,47+,48-,49-,50+,51+/m0/s1 |
| InChIKey | NNKZZSCQIGHSDP-QAXWQFECSA-N |
| Literature Reference Author | A.HIURA,T.AKABANE,K.OHTANI,R.KASAI,K.YAMASAKI,Y.KURIHARA |
| Literature Reference Citation | PHYTOCHEM.,43,1023(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00385-8 |
| Molecular Weight | 1029.184 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2275 |