| SpectraBase Compound ID | LuVfwHFbBds |
|---|---|
| InChI | InChI=1S/C36H58O12/c1-17-9-10-36(30(45)48-29-25(43)24(42)23(41)21(15-37)47-29)12-11-33(4)18(26(36)35(17,6)46)7-8-22-31(2)13-20(40)28(44)32(3,16-38)27(31)19(39)14-34(22,33)5/h7,17,19-29,37-44,46H,8-16H2,1-6H3/t17-,19-,20-,21-,22?,23-,24+,25-,26?,27?,28+,29+,31-,32+,33-,34-,35-,36+/m0/s1 |
| InChIKey | MRXKQBFJEXAWOG-FSUAGTLMSA-N |
| Mol Weight | 682.8 g/mol |
| Molecular Formula | C36H58O12 |
| Exact Mass | 682.392827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9UtPgm2BxE0 |
|---|---|
| Name | 28-O-beta-D-GLUCOPYRANOSYL 6beta,23-DIHYDROXYTORMENTIC ACID |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H58O12 |
| InChI | InChI=1S/C36H58O12/c1-17-9-10-36(30(45)48-29-25(43)24(42)23(41)21(15-37)47-29)12-11-33(4)18(26(36)35(17,6)46)7-8-22-31(2)13-20(40)28(44)32(3,16-38)27(31)19(39)14-34(22,33)5/h7,17,19-29,37-44,46H,8-16H2,1-6H3/t17-,19-,20-,21-,22?,23-,24+,25-,26?,27?,28+,29+,31-,32+,33-,34-,35-,36+/m0/s1 |
| InChIKey | MRXKQBFJEXAWOG-FSUAGTLMSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |