| SpectraBase Compound ID | AShyjaGlxye |
|---|---|
| InChI | InChI=1S/C82H116O36/c1-35-62(113-68(100)39-13-11-10-12-14-39)55(93)60(98)70(106-35)115-65-64(112-49(87)22-17-38-15-18-40(104-9)19-16-38)37(3)108-74(66(65)116-71-61(99)56(94)63(36(2)107-71)114-69-57(95)52(90)46(33-105-69)111-72-58(96)53(91)50(88)44(31-83)109-72)118-76(103)81-26-25-77(4,5)29-42(81)41-20-21-47-78(6)30-43(86)67(117-73-59(97)54(92)51(89)45(32-84)110-73)80(8,75(101)102)48(78)23-24-79(47,7)82(41,34-85)28-27-81/h10-20,22,35-37,42-48,50-67,69-74,83-86,88-99H,21,23-34H2,1-9H3,(H,101,102)/b22-17+/t35-,36-,37+,42-,43-,44-,45+,46-,47+,48+,50+,51+,52+,53+,54-,55-,56-,57-,58-,59+,60+,61+,62-,63-,64-,65-,66+,67-,69+,70-,71-,72+,73-,74-,78+,79+,80-,81-,82-/m0/s1 |
| InChIKey | FVTMEBOYHGVEQJ-QJDJCSAMSA-N |
| Mol Weight | 1677.8 g/mol |
| Molecular Formula | C82H116O36 |
| Exact Mass | 1676.72463 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 | LSPGijROg95 |
|---|---|
| Name | #2;POLYGALASAPONIN-LII;3-O-BETA-D-GLUCOPYRANOSYL-PRESENEGENIN-28-O-BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H116O36 |
| InChI | InChI=1S/C82H116O36/c1-35-62(113-68(100)39-13-11-10-12-14-39)55(93)60(98)70(106-35)115-65-64(112-49(87)22-17-38-15-18-40(104-9)19-16-38)37(3)108-74(66(65)116-71-61(99)56(94)63(36(2)107-71)114-69-57(95)52(90)46(33-105-69)111-72-58(96)53(91)50(88)44(31-83)109-72)118-76(103)81-26-25-77(4,5)29-42(81)41-20-21-47-78(6)30-43(86)67(117-73-59(97)54(92)51(89)45(32-84)110-73)80(8,75(101)102)48(78)23-24-79(47,7)82(41,34-85)28-27-81/h10-20,22,35-37,42-48,50-67,69-74,83-86,88-99H,21,23-34H2,1-9H3,(H,101,102)/b22-17+/t35-,36-,37+,42-,43-,44-,45+,46-,47+,48+,50+,51+,52+,53+,54-,55-,56-,57-,58-,59+,60+,61+,62-,63-,64-,65-,66+,67-,69+,70-,71-,72+,73-,74-,78+,79+,80-,81-,82-/m0/s1 |
| InChIKey | FVTMEBOYHGVEQJ-QJDJCSAMSA-N |
| Literature Reference Author | C.LI,J.FU,J.YANG,D.ZHANG,Y.YUAN,N.CHEN |
| Literature Reference Citation | FITOTERAPIA,83,1184(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2012.07.002 |
| Molecular Weight | 1677.801 g/mol |
| Sample ID | 72015 |
| Solvent | C5D5N |