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(2E,6S)-6-[(1R,5Z,3AS,9R,10Z,12AR)-1,2,3,3A,4,7,8,9,12,12A-DECAHYDRO-9-HYDROXY-3A,6,10-TRIMETHYLCYCLOPENTANOCYCLOUNDECEN-1-YL]-2-METHYLHEPT-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2E,6S)-6-[(1R,5Z,3AS,9R,10Z,12AR)-1,2,3,3A,4,7,8,9,12,12A-DECAHYDRO-9-HYDROXY-3A,6,10-TRIMETHYLCYCLOPENTANOCYCLOUNDECEN-1-YL]-2-METHYLHEPT-
SpectraBase Compound ID A7NoCR0h9uq
InChI InChI=1S/C25H40O3/c1-17-9-12-23(26)19(3)10-11-22-21(14-16-25(22,5)15-13-17)18(2)7-6-8-20(4)24(27)28/h8,10,13,18,21-23,26H,6-7,9,11-12,14-16H2,1-5H3,(H,27,28)/b17-13-,19-10-,20-8+/t18-,21+,22+,23+,25+/m0/s1
InChIKey BSSJWMDJGNMFKS-JUBNQSSJSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JM4EsgUepOs
Name (2E,6S)-6-[(1R,5Z,3AS,9R,10Z,12AR)-1,2,3,3A,4,7,8,9,12,12A-DECAHYDRO-9-HYDROXY-3A,6,10-TRIMETHYLCYCLOPENTANOCYCLOUNDECEN-1-YL]-2-METHYLHEPT-
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H40O3
InChI InChI=1S/C25H40O3/c1-17-9-12-23(26)19(3)10-11-22-21(14-16-25(22,5)15-13-17)18(2)7-6-8-20(4)24(27)28/h8,10,13,18,21-23,26H,6-7,9,11-12,14-16H2,1-5H3,(H,27,28)/b17-13-,19-10-,20-8+/t18-,21+,22+,23+,25+/m0/s1
InChIKey BSSJWMDJGNMFKS-JUBNQSSJSA-N
Literature Reference Author A.I.CALDERON,C.TERREAUX,K.SCHENK,P.PATTISON,J.E.BURDETTE,J.M .PEYYUTO,M.P.GUPTA,K
Literature Reference Citation J.NAT.PROD.,65,1749(2002)
Literature Reference DOI 10.1021/np0201164
Molecular Weight 388.591 g/mol
Solvent CDCl3
Source File Reference UWSI16374