| SpectraBase Compound ID | 2wkkAWANh9K |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,9,20-22,24-29,37-42H,8,10-18H2,1-6H3,(H,43,44)/t20-,21-,22+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1 |
| InChIKey | XJZWWGNIQWJUFR-PLZYRSBASA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C36H56O10 |
| Exact Mass | 648.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A2JZcMj7yqU |
|---|---|
| Name | BASSIC_ACID_3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-31(2)11-13-36(30(43)44)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(33(4,18-38)23(32)9-10-35(24,34)6)46-29-27(42)26(41)25(40)22(17-37)45-29/h7,9,20-22,24-29,37-42H,8,10-18H2,1-6H3,(H,43,44)/t20-,21-,22+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1 |
| InChIKey | XJZWWGNIQWJUFR-PLZYRSBASA-N |
| Literature Reference Author | S.K.NIGAM,X.C.LI,D.Z.WANG,G.MISRA,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,31,3169(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83468-E |
| Molecular Weight | 648.835 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21464 |