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12,13-Dihydroxy-8,11,13-totaratriene-6-one
SpectraBase Compound ID K386V4sf7er
InChI InChI=1S/C20H28O3/c1-11(2)16-12-9-15(22)18-19(3,4)7-6-8-20(18,5)13(12)10-14(21)17(16)23/h10-11,18,21,23H,6-9H2,1-5H3/t18-,20-/m1/s1
InChIKey AGMQQKFSVHDWRP-UYAOXDASSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxaR8gC4bCH
Name 12,13-Dihydroxy-8,11,13-totaratriene-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-11(2)16-12-9-15(22)18-19(3,4)7-6-8-20(18,5)13(12)10-14(21)17(16)23/h10-11,18,21,23H,6-9H2,1-5H3/t18-,20-/m1/s1
InChIKey AGMQQKFSVHDWRP-UYAOXDASSA-N
Molecular Weight 316.441 g/mol
SMILES Oc1c(c(c2CC([C@]3([C@@](c2c1)(CCCC3(C)C)C)[H])=O)C(C)C)O
SPLASH splash10-014i-1289000000-f8c16482580766cb05bd
Source of Spectrum E1-58-822-9
Wiley ID 1661884