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5,12-Epoxybenzocyclodecene-4,7,11-triol, tetradecahydro-4,7,11-trimethyl-1-(1-methylethyl)-, (1R*,4R*,4aS*,5R*,7R*,11R*,12R*,12aR*)-
SpectraBase Compound ID Dl6UsGTCVeu
InChI InChI=1S/C20H36O4/c1-12(2)13-7-10-19(4,22)16-14-11-18(3,21)8-6-9-20(5,23)17(24-14)15(13)16/h12-17,21-23H,6-11H2,1-5H3/t13-,14-,15-,16-,17-,18-,19-,20-/m1/s1
InChIKey NRKHPUCURQOLAD-JWYIDPQISA-N
Mol Weight 340.5 g/mol
Molecular Formula C20H36O4
Exact Mass 340.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID As22ObN2xqK
Name 5,12-Epoxybenzocyclodecene-4,7,11-triol, tetradecahydro-4,7,11-trimethyl-1-(1-methylethyl)-, (1R*,4R*,4aS*,5R*,7R*,11R*,12R*,12aR*)-
CAS Registry Number 125239-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O4
InChI InChI=1S/C20H36O4/c1-12(2)13-7-10-19(4,22)16-14-11-18(3,21)8-6-9-20(5,23)17(24-14)15(13)16/h12-17,21-23H,6-11H2,1-5H3/t13-,14-,15-,16-,17-,18-,19-,20-/m1/s1
InChIKey NRKHPUCURQOLAD-JWYIDPQISA-N
Molecular Weight 340.504 g/mol
SMILES O[C@]1([C@]2([C@]([C@@]3([C@@](CCC[C@](C[C@]2(O3)[H])(O)C)(O)C)[H])([C@](CC1)(C(C)C)[H])[H])[H])C
SPLASH splash10-052f-9111000000-5d665fd3624c64deef88
Source of Spectrum B-42-1725-14
Synonyms (1R*,4R*,5S*,6R*,8R*,12R*,13R*,14R*)-cladellane-4,8,12-triol
Wiley ID 1335360