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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-, [6aR-(6a.alpha.,9.alpha.,10.beta.,10a.beta.)]-
SpectraBase Compound ID Jvn27UKWaOq
InChI InChI=1S/C21H31FO3/c1-5-6-7-8-13-11-15(23)18-16(12-13)25-20(2,3)14-9-10-21(4,22)19(24)17(14)18/h11-12,14,17,19,23-24H,5-10H2,1-4H3/t14-,17-,19-,21+/m1/s1
InChIKey INCRGJWWNYPWMK-QTRJSKNGSA-N
Mol Weight 350.47 g/mol
Molecular Formula C21H31FO3
Exact Mass 350.225723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIU8cpK22Wp
Name 6H-Dibenzo[b,d]pyran-1,10-diol, 9-fluoro-6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, [6aR-(6a.alpha.,9.alpha.,10.beta.,10a.beta.)]-
CAS Registry Number 60948-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31FO3
InChI InChI=1S/C21H31FO3/c1-5-6-7-8-13-11-15(23)18-16(12-13)25-20(2,3)14-9-10-21(4,22)19(24)17(14)18/h11-12,14,17,19,23-24H,5-10H2,1-4H3/t14-,17-,19-,21+/m1/s1
InChIKey INCRGJWWNYPWMK-QTRJSKNGSA-N
Molecular Weight 350.474 g/mol
SMILES O[C@]1([C@](CC[C@@]2([C@@]1(c1c(cc(cc1OC2(C)C)CCCCC)O)[H])[H])(F)C)[H]
SPLASH splash10-0f7o-0096000000-f79daa2845e4726cdbc5
Source of Spectrum H-59-1966-7
Synonyms (6aR,9S,10R,10aR)-9-fluoro-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,10-diol 1,10-Dihydroxy-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 1342122