| SpectraBase Compound ID | 7XBa8Je2H0I |
|---|---|
| InChI | InChI=1S/C27H46O4/c1-24(2,30)11-6-12-27(5,31)23-22(29)16-21-19-8-7-17-15-18(28)9-13-25(17,3)20(19)10-14-26(21,23)4/h7,18-23,28-31H,6,8-16H2,1-5H3/t18-,19+,20-,21-,22-,23-,25-,26-,27+/m0/s1 |
| InChIKey | KQTBMRBMNBEPAZ-IILMGTBMSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C27H46O4 |
| Exact Mass | 434.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KmZ9eaRsTxM |
|---|---|
| Name | GUGGULSTEROL-Y;(20S)-CHOLEST-5-EN-3-BETA,16-BETA,20,25-TETROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O4 |
| InChI | InChI=1S/C27H46O4/c1-24(2,30)11-6-12-27(5,31)23-22(29)16-21-19-8-7-17-15-18(28)9-13-25(17,3)20(19)10-14-26(21,23)4/h7,18-23,28-31H,6,8-16H2,1-5H3/t18-,19+,20-,21-,22-,23-,25-,26-,27+/m0/s1 |
| InChIKey | KQTBMRBMNBEPAZ-IILMGTBMSA-N |
| Literature Reference Author | M.R.MESELHY |
| Literature Reference Citation | PHYTOCHEM.,62,213(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00388-6 |
| Molecular Weight | 434.660 g/mol |
| Solvent | CDCl3:CD3OD=1:2 |
| Source File Reference | UWMS28340 |