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25-Hydroperoxycholesta-5,23(E)-dien-3.beta.-ol
SpectraBase Compound ID GTJwEWxFjwh
InChI InChI=1S/C27H44O3/c1-18(7-6-14-25(2,3)30-29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h6,8,14,18,20-24,28-29H,7,9-13,15-17H2,1-5H3/b14-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey SISZKTSVHKUZKL-HUYSPLOCSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Kwzk3j5lLA
Name 25-HYDROPEROXYCHOLESTA-5,23(E)-DIEN-3-BETA-OL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O3
InChI InChI=1S/C27H44O3/c1-18(7-6-14-25(2,3)30-29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h6,8,14,18,20-24,28-29H,7,9-13,15-17H2,1-5H3/b14-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey SISZKTSVHKUZKL-HUYSPLOCSA-N
Literature Reference Author J.H.SHEU,S.Y.HUANG,C.Y.DUH
Literature Reference Citation J.NAT.PROD.,59,23(1996)
Literature Reference DOI 10.1021/np960016w
Molecular Weight 416.645 g/mol
Solvent CDCl3
Source File Reference UWVP881