| SpectraBase Compound ID | 53F5JqOWWjd |
|---|---|
| InChI | InChI=1S/C36H58O11/c1-17-10-11-36(30(44)47-29-25(42)24(41)23(40)21(16-37)46-29)13-12-33(5)18(26(36)35(17,7)45)8-9-22-32(4)14-20(39)28(43)31(2,3)27(32)19(38)15-34(22,33)6/h8,17,19-29,37-43,45H,9-16H2,1-7H3/t17-,19-,20-,21-,22?,23-,24+,25-,26?,27?,28+,29+,32-,33-,34-,35-,36+/m0/s1 |
| InChIKey | WKOLTWRXFQFZPV-YYVFPCMMSA-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 | ExAJme0hVHb |
|---|---|
| Name | 28-O-beta-D-GLUCOPYRANOSYL 6beta-HYDROXYTORMENTIC ACID |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H58O11 |
| InChI | InChI=1S/C36H58O11/c1-17-10-11-36(30(44)47-29-25(42)24(41)23(40)21(16-37)46-29)13-12-33(5)18(26(36)35(17,7)45)8-9-22-32(4)14-20(39)28(43)31(2,3)27(32)19(38)15-34(22,33)6/h8,17,19-29,37-43,45H,9-16H2,1-7H3/t17-,19-,20-,21-,22?,23-,24+,25-,26?,27?,28+,29+,32-,33-,34-,35-,36+/m0/s1 |
| InChIKey | WKOLTWRXFQFZPV-YYVFPCMMSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |