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2,25-Dioxabicyclo[24.2.2]triaconta-26,28,29-triene-13,14-diol, (13R*,14S*)-
SpectraBase Compound ID 81iizBW562S
InChI InChI=1S/C28H48O4/c29-27-17-13-9-5-1-3-7-11-15-23-31-25-19-21-26(22-20-25)32-24-16-12-8-4-2-6-10-14-18-28(27)30/h19-22,27-30H,1-18,23-24H2/t27-,28+
InChIKey YAJZXNRLFHOBJJ-HNRBIFIRSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DuBm5TDlqEF
Name 2,25-Dioxabicyclo[24.2.2]triaconta-26,28,29-triene-13,14-diol, (13R*,14S*)-
Alternate Name(s) (13R,14S)-2,25-dioxabicyclo[24.2.2]triaconta-1(28),26,29-triene-13,14-diol meso- and racem-2,25-dioxabicyclo[24.2.2]triaconta-1(28),26,29-trien-13,14-diol
CAS Registry Number 73819-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O4
InChI InChI=1S/C28H48O4/c29-27-17-13-9-5-1-3-7-11-15-23-31-25-19-21-26(22-20-25)32-24-16-12-8-4-2-6-10-14-18-28(27)30/h19-22,27-30H,1-18,23-24H2/t27-,28+
InChIKey YAJZXNRLFHOBJJ-HNRBIFIRSA-N
Molecular Weight 448.688 g/mol
SMILES O[C@]1([C@](CCCCCCCCCCOc2ccc(OCCCCCCCCCC1)cc2)(O)[H])[H]
SPLASH splash10-03dj-6900700000-888615220a4a38ceed08
Source of Spectrum K-113-949-0
Wiley ID 1387326