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4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(S)-2-Iodo-7,7,4,4-tetramethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[b]fluoren-5-ol
SpectraBase Compound ID IZmDQO69xhS
InChI InChI=1S/C17H25IO5/c1-16(2)6-8(18)5-9-12(16)11-13(19)14-10(22-15(11)21-9)7-20-17(3,4)23-14/h6,9-15,19H,5,7H2,1-4H3/t9-,10+,11+,12-,13+,14+,15-/m0/s1
InChIKey ADKKKYNGKJYFOY-XSGSKYOYSA-N
Mol Weight 436.29 g/mol
Molecular Formula C17H25IO5
Exact Mass 436.074669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRp91lqZPKJ
Name 4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(S)-2-Iodo-7,7,4,4-tetramethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[b]fluoren-5-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25IO5
InChI InChI=1S/C17H25IO5/c1-16(2)6-8(18)5-9-12(16)11-13(19)14-10(22-15(11)21-9)7-20-17(3,4)23-14/h6,9-15,19H,5,7H2,1-4H3/t9-,10+,11+,12-,13+,14+,15-/m0/s1
InChIKey ADKKKYNGKJYFOY-XSGSKYOYSA-N
Molecular Weight 436.286 g/mol
SMILES O[C@]1([C@]2([C@@](COC(O2)(C)C)(O[C@]2([C@@]1([C@]1(C(C=C(C[C@]1([H])O2)I)(C)C)[H])[H])[H])[H])[H])[H]
SPLASH splash10-0udi-0900000000-3d6d1a89bf44ec49d544
Source of Spectrum F-53-8396-0
Synonyms (4aR,5aS,6aS,10aS,10bR,11R,11aS)-8-iodo-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-ol 4a(S),4b(R),5(R),5a(S),9a(R,10a(S)-)-2-Iodo-7,7,4,4-tetramethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxabenzo[b]fluoren-5-ol
Wiley ID 802639