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6H-Dibenzo[b,d]pyran-1,10-diol, 9-fluoro-6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, diacetate, [6aR-(6a.alpha.,9.alpha.,10.beta.,10a.beta.)]-
SpectraBase Compound ID KHtDnKqQLbr
InChI InChI=1S/C25H35FO5/c1-7-8-9-10-17-13-19(29-15(2)27)22-20(14-17)31-24(4,5)18-11-12-25(6,26)23(21(18)22)30-16(3)28/h13-14,18,21,23H,7-12H2,1-6H3/t18-,21-,23-,25+/m1/s1
InChIKey JOZYIYRKTFJCNA-VTBBIAPYSA-N
Mol Weight 434.5 g/mol
Molecular Formula C25H35FO5
Exact Mass 434.246852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9BzEhZoiYj
Name 6H-Dibenzo[b,d]pyran-1,10-diol, 9-fluoro-6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, diacetate, [6aR-(6a.alpha.,9.alpha.,10.beta.,10a.beta.)]-
CAS Registry Number 60948-20-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35FO5
InChI InChI=1S/C25H35FO5/c1-7-8-9-10-17-13-19(29-15(2)27)22-20(14-17)31-24(4,5)18-11-12-25(6,26)23(21(18)22)30-16(3)28/h13-14,18,21,23H,7-12H2,1-6H3/t18-,21-,23-,25+/m1/s1
InChIKey JOZYIYRKTFJCNA-VTBBIAPYSA-N
Molecular Weight 434.548 g/mol
SMILES [C@@]12(c3c(cc(cc3OC(=O)C)CCCCC)OC([C@@]1(CC[C@@]([C@@]2(OC(=O)C)[H])(F)C)[H])(C)C)[H]
SPLASH splash10-0089-2039000000-4ebf9ee30bf09123fc47
Source of Spectrum H-59-1967-8
Synonyms (6aR,9S,10R,10aR)-1-(acetyloxy)-9-fluoro-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-10-yl acetate 1,10l-diacetoxy-9.beta.-fluoro-3-(n-pentyl)-6,6,9.alpha.-trimethyl-6a,10a-trans-6a,7,8,9,10,10a-hexahydrodibenzo[b,d]pyran
Wiley ID 1382994