John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9XBcsnfm7EX SpectraBase Spectrum ID=1jKXXK88wMb

(accessed ).
4,22,-Stigmastadien-3-one
SpectraBase Compound ID 9XBcsnfm7EX
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+/m0/s1
InChIKey MKGZDUKUQPPHFM-UWHAWWEFSA-N
Mol Weight 410.7 g/mol
Molecular Formula C29H46O
Exact Mass 410.354866 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1jKXXK88wMb
Name 4,22,-Stigmastadien-3-one
Source of Sample Sigma-Aldrich Company LLC
Catalog Number S418846
Cell Type NMR tube
Compound Type Pure
Copyright Copyright © 2015-2021 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+/m0/s1
InChIKey MKGZDUKUQPPHFM-UWHAWWEFSA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 550 mW
Raman Laser Source Nd:YAG
SMILES C1CC(\C=C\2CCC3C4[C@](CCC3[C@@]12C)(C(CC4)C(\C=C\C(C(C)C)CC)C)C)=O
Scans Performed 6400
Source of Spectrum Forensic Spectral Research
SpectraBase Batch ID 8u3obwm4CGe
Technique FT-Raman