| SpectraBase Compound ID | IMg5TA3PaHY |
|---|---|
| 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-/m1/s1 |
| InChIKey | GKLQUISYBKOPTI-YWRZRCMCSA-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 | CxzvEdqtevY |
|---|---|
| Name | 1-β,7-β-dihydroxy-hecogenin |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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-/m1/s1 |
| InChIKey | GKLQUISYBKOPTI-YWRZRCMCSA-N |
| Literature Reference | P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR PHYTOCHEM.,24,2479(1985) |
| Solvent | Chloroform-d |