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4-ALPHA-METHYL-5-ALPHA-ERGOSTA-8,14,24(24[1])-TRIEN-3-BETA-OL
SpectraBase Compound ID HkgYqKQeBTo
InChI InChI=1S/C31H48O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h14,19,21-22,25-26,29H,3,9-13,15-18H2,1-2,4-8H3/t21-,22+,25-,26+,29+,30-,31+/m1/s1
InChIKey FOMZTSGTXHXAFX-RTPIAWABSA-N
Mol Weight 452.7 g/mol
Molecular Formula C31H48O2
Exact Mass 452.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1rzzfXsgnFt
Name 4-ALPHA-METHYL-5-ALPHA-ERGOSTA-8,14,24(24[1])-TRIEN-3-BETA-OL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O2
InChI InChI=1S/C31H48O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h14,19,21-22,25-26,29H,3,9-13,15-18H2,1-2,4-8H3/t21-,22+,25-,26+,29+,30-,31+/m1/s1
InChIKey FOMZTSGTXHXAFX-RTPIAWABSA-N
Literature Reference Author T.AKIHISA,W.C.M.C.KOKKE,K.KOIKE,Y.KIMURA,C.MIZUKAMI,A.SADAIE ,T.MARUYAMA,T.NIKAID
Literature Reference Citation J.CHEM.SOC.PERKIN-1,497(1999)
Literature Reference DOI 10.1039/a808508k
Molecular Weight 452.721 g/mol
Solvent CDCl3
Source File Reference UWGE3378