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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-
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
Enantiomer InChIKey BSSJWMDJGNMFKS-SILWEHEHSA-N
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum G4-65-1752-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (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-2-enoic acid
Title Journal or Book Year
Isolation and Structure Elucidation of an Isoflavone and a Sesterterpenoic Acid from Henriettella fascicularis Journal of Natural Products 2002
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