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Stigmasta-4,22-dien-3-one

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 UV-Vis

Stigmasta-4,22-dien-3-one
SpectraBase Compound ID Ati4w9seO2x
InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey MKGZDUKUQPPHFM-KBEOWXOMSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKcS8n4nEgS
Name Stigmasta-4,22-dien-3-one
Source of Sample Eastman Organic Chemicals, Rochester, New York
Comments Carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O
InChI InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey MKGZDUKUQPPHFM-KBEOWXOMSA-N
Melting Point 125-127C
Molecular Weight 410.69
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20