| SpectraBase Compound ID | GSkEwrTxxOv |
|---|---|
| InChI | InChI=1S/C36H58O11/c1-18-9-14-36(30(44)47-29-27(43)26(42)25(41)20(16-37)46-29)24(40)15-34(5)19(28(36)35(18,6)45)7-8-22-31(2)12-11-23(39)32(3,17-38)21(31)10-13-33(22,34)4/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29+,31+,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | CNLFSTJIFWSNPG-FUCGQFKSSA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C36H58O11 |
| Exact Mass | 666.397913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E3K4p4IJAMw |
|---|---|
| Name | RYOBUNIN-A;16-HYDROXY-BARBINERVIC-ACID-28-O-BETA-D-GLUCOPYRANOSYDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O11 |
| InChI | InChI=1S/C36H58O11/c1-18-9-14-36(30(44)47-29-27(43)26(42)25(41)20(16-37)46-29)24(40)15-34(5)19(28(36)35(18,6)45)7-8-22-31(2)12-11-23(39)32(3,17-38)21(31)10-13-33(22,34)4/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29+,31+,32-,33-,34-,35-,36+/m1/s1 |
| InChIKey | CNLFSTJIFWSNPG-FUCGQFKSSA-N |
| Literature Reference Author | S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,581(2013) |
| Literature Reference DOI | 10.1248/cpb.c12-01098 |
| Molecular Weight | 666.850 g/mol |
| Source File Reference | UWIR3901 |