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(+/-)-(3A-R,9-S,9A-R)-9-[4-(3-METHYLBUTYL-2-ENYLOXY)-3-METHOXYPHENYL]-6,7,8-TRIMETHOXY-3A,4,9,9A-TETRAHYDRONAPHTHO-[2.3-C]-FURAN-1-(3-H)-ONE
SpectraBase Compound ID A82dcGZOqZ5
InChI InChI=1S/C27H32O7/c1-15(2)9-10-33-19-8-7-16(12-20(19)29-3)22-23-17(11-18-14-34-27(28)24(18)22)13-21(30-4)25(31-5)26(23)32-6/h7-9,12-13,18,22,24H,10-11,14H2,1-6H3/t18-,22-,24-/m0/s1
InChIKey XZMMDOXDIPFVQP-OEOAZWSVSA-N
Mol Weight 468.5 g/mol
Molecular Formula C27H32O7
Exact Mass 468.214803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KePTusalEP6
Name (+/-)-(3A-R,9-S,9A-R)-9-[4-(3-METHYLBUTYL-2-ENYLOXY)-3-METHOXYPHENYL]-6,7,8-TRIMETHOXY-3A,4,9,9A-TETRAHYDRONAPHTHO-[2.3-C]-FURAN-1-(3-H)-ONE
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O7
InChI InChI=1S/C27H32O7/c1-15(2)9-10-33-19-8-7-16(12-20(19)29-3)22-23-17(11-18-14-34-27(28)24(18)22)13-21(30-4)25(31-5)26(23)32-6/h7-9,12-13,18,22,24H,10-11,14H2,1-6H3/t18-,22-,24-/m0/s1
InChIKey XZMMDOXDIPFVQP-OEOAZWSVSA-N
Literature Reference Author Y.ZHAO,J.H.FENG,H.X.DING,Y.XIONG,C.H.K.CHENG,X.J.HAO,Y.M.ZHA NG,Y.J.PAN,F.GUERITT
Literature Reference Citation J.NAT.PROD.,69,1145(2006)
Literature Reference DOI 10.1021/np050547x
Molecular Weight 468.547 g/mol
Solvent CDCl3
Source File Reference UWMZ15533