| SpectraBase Compound ID | 1Ie7bmRsPTT |
|---|---|
| InChI | InChI=1S/C21H28O5/c1-12-15-5-10-21(25)19(15,17(23)26-12)8-6-16-18(2)7-4-14(22)11-13(18)3-9-20(16,21)24/h3,6,8,12,14-16,22,24-25H,4-5,7,9-11H2,1-2H3/t12-,14-,15+,16+,18-,19+,20+,21+/m0/s1 |
| InChIKey | XCSQFDBNXVLLPU-ABTLCXDNSA-N |
| Mol Weight | 360.45 g/mol |
| Molecular Formula | C21H28O5 |
| Exact Mass | 360.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6D85EXeJLbx |
|---|---|
| Name | AMALOGENIN-B;(20S)-3-BETA,8-ALPHA,14-BETA-TRIHYDROXY-8-ALPHA,9-ALPHA,14-BETA,17-BETA-PREGNA-5,11-DIENE-CARBOXYLIC-20-LACTONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O5 |
| InChI | InChI=1S/C21H28O5/c1-12-15-5-10-21(25)19(15,17(23)26-12)8-6-16-18(2)7-4-14(22)11-13(18)3-9-20(16,21)24/h3,6,8,12,14-16,22,24-25H,4-5,7,9-11H2,1-2H3/t12-,14-,15+,16+,18-,19+,20+,21+/m0/s1 |
| InChIKey | XCSQFDBNXVLLPU-ABTLCXDNSA-N |
| Literature Reference Author | X.L.SHEN,Y.J.HU,Y.L.AN,Q.Z.MU |
| Literature Reference Citation | PHYTOCHEM.,33,687(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85474-6 |
| Molecular Weight | 360.450 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6543 |