| SpectraBase Compound ID | FLnWf0Egnbs |
|---|---|
| InChI | InChI=1S/C36H56O13/c1-31(2)9-10-36(30(46)47)17(11-31)16-7-8-20-32(3)12-19(39)27(49-29-24(43)22(41)23(42)25(48-29)28(44)45)33(4,15-37)26(32)18(38)13-35(20,6)34(16,5)14-21(36)40/h7,17-27,29,37-43H,8-15H2,1-6H3,(H,44,45)(H,46,47)/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26+,27-,29-,32+,33-,34+,35+,36+/m0/s1 |
| InChIKey | HWQRXEMUOIZDSB-XLFZRLEKSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C36H56O13 |
| Exact Mass | 696.372092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RG8sTmUfwI |
|---|---|
| Name | 16-ALPHA-HYDROXY-PROTOBASSIC-ACID-3-O-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O13 |
| InChI | InChI=1S/C36H56O13/c1-31(2)9-10-36(30(46)47)17(11-31)16-7-8-20-32(3)12-19(39)27(49-29-24(43)22(41)23(42)25(48-29)28(44)45)33(4,15-37)26(32)18(38)13-35(20,6)34(16,5)14-21(36)40/h7,17-27,29,37-43H,8-15H2,1-6H3,(H,44,45)(H,46,47)/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26+,27-,29-,32+,33-,34+,35+,36+/m0/s1 |
| InChIKey | HWQRXEMUOIZDSB-XLFZRLEKSA-N |
| Literature Reference Author | X.C.LI,Y.Q.LIU,D.Z.WANG,C.R.YANG,S.K.NIGAM,G.MISRA |
| Literature Reference Citation | PHYTOCHEM.,37,827(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90365-0 |
| Molecular Weight | 696.833 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23508 |