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4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(S)-7,7,4,4-tetramethyl-1,4,4a,5,5a,9,9a,10a,11a-octahydro-6,8,10,11-tetraoxabenzo[a]fluoren-5-yl benzyl ether
SpectraBase Compound ID HfFbINfmpeo
InChI InChI=1S/C24H32O5/c1-23(2)12-8-11-16-19(23)18-21(25-13-15-9-6-5-7-10-15)20-17(28-22(18)27-16)14-26-24(3,4)29-20/h5-10,12,16-22H,11,13-14H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-/m0/s1
InChIKey DTCUESIXKBXTFB-CKBSPGBPSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwlU6X86s2G
Name 4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(S)-7,7,4,4-tetramethyl-1,4,4a,5,5a,9,9a,10a,11a-octahydro-6,8,10,11-tetraoxabenzo[a]fluoren-5-yl benzyl ether
Alternate Name(s) (4aR,5aS,6aS,10aS,10bR,11R,11aS)-11-(benzyloxy)-2,2,10,10-tetramethyl-4,4a,5a,6a,7,10,10a,10b,11,11a-decahydro[1,3]dioxino[4',5':5,6]pyrano[2,3-b][1]benzofuran (4aR,5aS,6aS,10aS,10bR,11R,11aS)-2,2,10,10-tetramethyl-4,4a,5a,6a,7,10,10a,10b,11,11a-decahydro[1,3]dioxino[4',5':5,6]pyrano[2,3-b][1]benzofuran-11-yl benzyl ether
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-23(2)12-8-11-16-19(23)18-21(25-13-15-9-6-5-7-10-15)20-17(28-22(18)27-16)14-26-24(3,4)29-20/h5-10,12,16-22H,11,13-14H2,1-4H3/t16-,17+,18+,19-,20+,21+,22-/m0/s1
InChIKey DTCUESIXKBXTFB-CKBSPGBPSA-N
Molecular Weight 400.515 g/mol
SMILES [C@]12([C@](O[C@]3([C@]([C@@]2(OCc2ccccc2)[H])(OC(OC3)(C)C)[H])[H])(O[C@@]2([C@@]1(C(C=CC2)(C)C)[H])[H])[H])[H]
SPLASH splash10-0006-9000000000-7ea0ab6c122d319b9b33
Source of Spectrum F-53-8398-7
Wiley ID 802635