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CAMPHORATIN_I;(25-S)-26-HYDROXYERGOSTA-7,22-DIEN-3-ONE
SpectraBase Compound ID GtE4XeT1GH1
InChI InChI=1S/C28H44O2/c1-18(20(3)17-29)6-7-19(2)24-10-11-25-23-9-8-21-16-22(30)12-14-27(21,4)26(23)13-15-28(24,25)5/h6-7,9,18-21,24-26,29H,8,10-17H2,1-5H3/b7-6+/t18-,19+,20+,21-,24+,25-,26-,27-,28+/m0/s1
InChIKey HCQKGAYOZHKURE-TVBBQBQJSA-N
Mol Weight 412.7 g/mol
Molecular Formula C28H44O2
Exact Mass 412.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbiJjHfG8Qn
Name CAMPHORATIN_I;(25-S)-26-HYDROXYERGOSTA-7,22-DIEN-3-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H44O2
InChI InChI=1S/C28H44O2/c1-18(20(3)17-29)6-7-19(2)24-10-11-25-23-9-8-21-16-22(30)12-14-27(21,4)26(23)13-15-28(24,25)5/h6-7,9,18-21,24-26,29H,8,10-17H2,1-5H3/b7-6+/t18-,19+,20+,21-,24+,25-,26-,27-,28+/m0/s1
InChIKey HCQKGAYOZHKURE-TVBBQBQJSA-N
Literature Reference Author S.J.WU,Y.L.LEU,C.H.CHEN,C.H.CHAO,D.Y.SHEN,H.H.CHAN,E.J.LEE,T .S.WU,Y.H.WANG,Y.C.S
Literature Reference Citation J.NAT.PROD.,73,1756(2010)
Literature Reference DOI 10.1021/np1002143
Molecular Weight 412.656 g/mol
Sample ID 36126
Solvent CDCl3