| SpectraBase Compound ID | BsO3ujdMGnz |
|---|---|
| InChI | InChI=1S/C27H42O6/c1-13-5-6-27(32-12-13)14(2)24-20(33-27)10-17-23-18(11-22(31)26(17,24)4)25(3)15(8-19(23)29)7-16(28)9-21(25)30/h13-21,23-24,28-30H,5-12H2,1-4H3/t13?,14?,15?,16?,17?,18?,19?,20?,21?,23?,24?,25?,26?,27-/m0/s1 |
| InChIKey | GKLQUISYBKOPTI-NPZIGAGBSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C27H42O6 |
| Exact Mass | 462.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HoKW2LMIfsf |
|---|---|
| Name | 1.beta.,7.beta.-Dihydroxyhecogenin |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H42O6 |
| InChI | InChI=1S/C27H42O6/c1-13-5-6-27(32-12-13)14(2)24-20(33-27)10-17-23-18(11-22(31)26(17,24)4)25(3)15(8-19(23)29)7-16(28)9-21(25)30/h13-21,23-24,28-30H,5-12H2,1-4H3/t13?,14?,15?,16?,17?,18?,19?,20?,21?,23?,24?,25?,26?,27-/m0/s1 |
| InChIKey | GKLQUISYBKOPTI-NPZIGAGBSA-N |
| Literature Reference | Phytochem. 22, 304 (1983). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |