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3-BETA,11-ALPHA-DIHYDROXYERGOSTA-8,24-(28)-DIEN-7-ONE
SpectraBase Compound ID 5NvwvyitEi5
InChI InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-25-23(30)14-19-13-20(29)11-12-27(19,5)26(25)24(31)15-28(21,22)6/h16,18-22,24,29,31H,3,7-15H2,1-2,4-6H3/t18?,19-,20+,21-,22+,24-,27+,28-/m1/s1
InChIKey IWSQIMKLMWQADE-AWUOZBBCSA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aw6q6jyeMXn
Name 3-BETA,11-ALPHA-DIHYDROXYERGOSTA-8,24-(28)-DIEN-7-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-25-23(30)14-19-13-20(29)11-12-27(19,5)26(25)24(31)15-28(21,22)6/h16,18-22,24,29,31H,3,7-15H2,1-2,4-6H3/t18?,19-,20+,21-,22+,24-,27+,28-/m1/s1
InChIKey IWSQIMKLMWQADE-AWUOZBBCSA-N
Literature Reference Author C.M.CUI,X.M.LI,L.MENG,C.S.LI,C.G.HUANG,B.G.WANG
Literature Reference Citation J.NAT.PROD.,73,1780(2010)
Literature Reference DOI 10.1021/np100386q
Molecular Weight 428.656 g/mol
Sample ID 36107
Solvent CDCl3