| SpectraBase Compound ID | 1zcsUPc9FGs |
|---|---|
| InChI | InChI=1S/C31H48O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-23,32H,9-19H2,1-7H3/t21-,22+,23+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | SCNJKSGGJJIVNC-CYFLCHJQSA-N |
| Mol Weight | 484.7 g/mol |
| Molecular Formula | C31H48O4 |
| Exact Mass | 484.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3G4VKJUkkwj |
|---|---|
| Name | 3-OXOHEDERAGENIN |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O4 |
| InChI | InChI=1S/C31H48O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-23,32H,9-19H2,1-7H3/t21-,22+,23+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | SCNJKSGGJJIVNC-CYFLCHJQSA-N |
| Literature Reference Author | M.MIYAKOSHI,K.SHIRASUNA,Y.HIRAI,K.SHINGU,S.ISODA,J.SHOJI,Y.I DA,T.SHIMIZU |
| Literature Reference Citation | J.NAT.PROD.,62,445(1999) |
| Literature Reference DOI | 10.1021/np9804334 |
| Molecular Weight | 484.720 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7890 |