| SpectraBase Compound ID | Jyq1gcFk82L |
|---|---|
| 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-DUCMMUMZSA-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 | 53LDzNxYOVS |
|---|---|
| Name | 1-BETA,7-BETA-DIHYDROXYHECOGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-DUCMMUMZSA-N |
| Literature Reference Author | J.A.JAFFER,G.BLUNDEN,T.A.CRABB |
| Literature Reference Citation | PHYTOCHEM.,22,304(1983) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80115-6 |
| Molecular Weight | 462.627 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17059 |