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(5-Z)-5-[(2-S,2A-R,6-S,7A-S,7B-S,8-R,9-S)-HEXAHYDRO-7B-[(1-E,3-E,5-E)-7-HYDROXY-1,3,5-HEPTATRIENYL]-9-METHYL-4-H-2,2,6-(EPOXY-[1]-PROPANYL-[3]

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(5-Z)-5-[(2-S,2A-R,6-S,7A-S,7B-S,8-R,9-S)-HEXAHYDRO-7B-[(1-E,3-E,5-E)-7-HYDROXY-1,3,5-HEPTATRIENYL]-9-METHYL-4-H-2,2,6-(EPOXY-[1]-PROPANYL-[3]
SpectraBase Compound ID 9qTEZCTdEgd
InChI InChI=1S/C25H29NO6/c1-14-19-16-13-18-24(10-7-5-4-6-8-12-27)17(9-11-26(16)24)25(19,31-18)32-21(14)22-20(29-3)15(2)23(28)30-22/h4-8,10,14,16-19,27H,9,11-13H2,1-3H3/b5-4+,8-6+,10-7+,22-21-/t14-,16+,17+,18+,19+,24-,25+/m0/s1
InChIKey YLAGUKSDJBZKIZ-ORICQCFOSA-N
Mol Weight 439.51 g/mol
Molecular Formula C25H29NO6
Exact Mass 439.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOmBYXC5lWt
Name (5-Z)-5-[(2-S,2A-R,6-S,7A-S,7B-S,8-R,9-S)-HEXAHYDRO-7B-[(1-E,3-E,5-E)-7-HYDROXY-1,3,5-HEPTATRIENYL]-9-METHYL-4-H-2,2,6-(EPOXY-[1]-PROPANYL-[3]
Compound Number 34C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29NO6
InChI InChI=1S/C25H29NO6/c1-14-19-16-13-18-24(10-7-5-4-6-8-12-27)17(9-11-26(16)24)25(19,31-18)32-21(14)22-20(29-3)15(2)23(28)30-22/h4-8,10,14,16-19,27H,9,11-13H2,1-3H3/b5-4+,8-6+,10-7+,22-21-/t14-,16+,17+,18+,19+,24-,25+/m0/s1
InChIKey YLAGUKSDJBZKIZ-ORICQCFOSA-N
Literature Reference Author K.SASTRARUJI,T.SASTRARUJI,S.G.PYNE,A.T.UNG,A.JATISATIENR,W.L IE
Literature Reference Citation J.NAT.PROD.,73,935(2010)
Literature Reference DOI 10.1021/np100137h
Molecular Weight 439.508 g/mol
Sample ID 35580
Solvent CDCl3