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#3;SIPHOLENONE_E;(5A-S,6-S,7-S,9A-S)-7-HYDROXY-6-((E)-2-((2-R,4A-S,5-S,8A-R)-5-HYDROXY-2,5,8,8-TETRAMETHYLOCTAHYDRONAPHTHALEN-1-(2-H)-YLIDENE)-ETHYL)-2,2,5A,7-

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#3;SIPHOLENONE_E;(5A-S,6-S,7-S,9A-S)-7-HYDROXY-6-((E)-2-((2-R,4A-S,5-S,8A-R)-5-HYDROXY-2,5,8,8-TETRAMETHYLOCTAHYDRONAPHTHALEN-1-(2-H)-YLIDENE)-ETHYL)-2,2,5A,7-
SpectraBase Compound ID 3GFTldcEtU2
InChI InChI=1S/C30H50O4/c1-19-9-11-21-25(26(2,3)17-18-29(21,7)32)20(19)10-12-22-28(6)15-13-23(31)27(4,5)34-24(28)14-16-30(22,8)33/h10,19,21-22,24-25,32-33H,9,11-18H2,1-8H3/b20-10-/t19-,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChIKey DPIZIYOJDMMKNP-OMWQVJEDSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vKxJAhoCCL
Name #3;SIPHOLENONE_E;(5A-S,6-S,7-S,9A-S)-7-HYDROXY-6-((E)-2-((2-R,4A-S,5-S,8A-R)-5-HYDROXY-2,5,8,8-TETRAMETHYLOCTAHYDRONAPHTHALEN-1-(2-H)-YLIDENE)-ETHYL)-2,2,5A,7-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-19-9-11-21-25(26(2,3)17-18-29(21,7)32)20(19)10-12-22-28(6)15-13-23(31)27(4,5)34-24(28)14-16-30(22,8)33/h10,19,21-22,24-25,32-33H,9,11-18H2,1-8H3/b20-10-/t19-,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChIKey DPIZIYOJDMMKNP-OMWQVJEDSA-N
Literature Reference Author S.JAIN,I.ABRAHAM,P.CARVALHO,Y.H.KUANG,L.A.SHAALA,D.T.A.YOUSS EF,M.A.AVERY,Z.S.CHE
Literature Reference Citation J.NAT.PROD.,72,1291(2009)
Literature Reference DOI 10.1021/np900091y
Molecular Weight 474.725 g/mol
Sample ID 33197
Solvent CDCl3