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(1R*,5S*,6S*,7R*)-6-(2-Methylpropan-1-ol)-5-(1(E/Z)-propenyl)bicyclo[5.4.0]undecane-1,5-diol
SpectraBase Compound ID JtZyX3CjX6R
InChI InChI=1S/C18H32O3/c1-3-8-17(20)10-6-11-18(21)9-5-4-7-15(18)16(17)12-14(2)13-19/h3,8,14-16,19-21H,4-7,9-13H2,1-2H3/b8-3+/t14?,15-,16+,17-,18-/m1/s1
InChIKey DDOQDDXJAMQFTN-XDMIJHJMSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ntmjMdMOQO
Name (1R*,5S*,6S*,7R*)-6-(2-Methylpropan-1-ol)-5-(1(E/Z)-propenyl)bicyclo[5.4.0]undecane-1,5-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-3-8-17(20)10-6-11-18(21)9-5-4-7-15(18)16(17)12-14(2)13-19/h3,8,14-16,19-21H,4-7,9-13H2,1-2H3/b8-3+/t14?,15-,16+,17-,18-/m1/s1
InChIKey DDOQDDXJAMQFTN-XDMIJHJMSA-N
Molecular Weight 296.451 g/mol
SMILES O[C@]12[C@@]([C@](CC(CO)C)([C@](CCC2)(\C=C\C)O)[H])(CCCC1)[H]
SPLASH splash10-066r-9260000000-2c0eab61d7e1da1968bd
Source of Spectrum J-63-4379-21
Synonyms (4aR,8S,9S,9aR)-9-(3-hydroxy-2-methylpropyl)-8-[(1E)-1-propenyl]decahydro-4aH-benzo[a]cycloheptene-4a,8-diol
Wiley ID 1299421