| SpectraBase Compound ID | 8u55k0XQ3yu |
|---|---|
| InChI | InChI=1S/C36H56O12/c1-31(2)9-11-36(30(45)46)12-10-34(5)17(18(36)13-31)7-8-21-32(3)14-20(39)27(33(4,16-37)26(32)19(38)15-35(21,34)6)48-29-24(42)22(40)23(41)25(47-29)28(43)44/h7,18-27,29,37-42H,8-16H2,1-6H3,(H,43,44)(H,45,46)/t18-,19+,20-,21+,22-,23-,24+,25-,26+,27-,29-,32+,33-,34+,35+,36-/m0/s1 |
| InChIKey | JKGUGEPOACDCDC-XYOGZDMOSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C36H56O12 |
| Exact Mass | 680.377177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89gc6jWflXl |
|---|---|
| Name | PROTOBASSIC-ACID-3-O-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O12 |
| InChI | InChI=1S/C36H56O12/c1-31(2)9-11-36(30(45)46)12-10-34(5)17(18(36)13-31)7-8-21-32(3)14-20(39)27(33(4,16-37)26(32)19(38)15-35(21,34)6)48-29-24(42)22(40)23(41)25(47-29)28(43)44/h7,18-27,29,37-42H,8-16H2,1-6H3,(H,43,44)(H,45,46)/t18-,19+,20-,21+,22-,23-,24+,25-,26+,27-,29-,32+,33-,34+,35+,36-/m0/s1 |
| InChIKey | JKGUGEPOACDCDC-XYOGZDMOSA-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 | 680.833 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23507 |