| SpectraBase Compound ID | 7wqQ4Iv0RMX |
|---|---|
| InChI | InChI=1S/C39H66O12/c1-18(2)7-10-26(42)19(3)29-27(16-25-23-9-8-21-15-22(41)11-13-38(21,5)24(23)12-14-39(25,29)6)49-37-34(47)35(31(44)28(17-40)50-37)51-36-33(46)32(45)30(43)20(4)48-36/h8,18-20,22-37,40-47H,7,9-17H2,1-6H3/t19-,20-,22-,23?,24?,25?,26+,27-,28+,29-,30-,31-,32+,33+,34+,35-,36+,37+,38-,39-/m1/s1 |
| InChIKey | FIGXPOAUWNKMCE-NDPDYKPPSA-N |
| Mol Weight | 726.9 g/mol |
| Molecular Formula | C39H66O12 |
| Exact Mass | 726.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82CbOtLt0xm |
|---|---|
| Name | (22S)-CHOLEST-5-EN-3beta,16beta,22-TRIOL 16-O-alpha-L-RHAMNOPYRANOSYL-(1->3)-beta-D-GALACTOPYRANOSIDE ; SCHUBERTOSIDE B |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H66O12 |
| InChI | InChI=1S/C39H66O12/c1-18(2)7-10-26(42)19(3)29-27(16-25-23-9-8-21-15-22(41)11-13-38(21,5)24(23)12-14-39(25,29)6)49-37-34(47)35(31(44)28(17-40)50-37)51-36-33(46)32(45)30(43)20(4)48-36/h8,18-20,22-37,40-47H,7,9-17H2,1-6H3/t19-,20-,22-,23?,24?,25?,26+,27-,28+,29-,30-,31-,32+,33+,34+,35-,36+,37+,38-,39-/m1/s1 |
| InChIKey | FIGXPOAUWNKMCE-NDPDYKPPSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |