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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
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

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