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(3S,7E,9R)-3,9-DIHYDROXY-5,7-MEGASTIGMADIENE
SpectraBase Compound ID CeEzjzRv3UC
InChI InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+/t10-,11-/m1/s1
InChIKey JUFKQNCQDFHWFD-XIJCSBCJSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DowjWeaHS2w
Name 3,9-Dihydroxy-.beta.-ionol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,10-11,14-15H,7-8H2,1-4H3/b6-5+/t10-,11-/m1/s1
InChIKey JUFKQNCQDFHWFD-XIJCSBCJSA-N
Molecular Weight 210.317 g/mol
SMILES O[C@@]1(CC(=C(\C=C\[C@](O)(C)[H])C(C1)(C)C)C)[H]
SPLASH splash10-066r-1900000000-beab41fe5247f0ad8422
Source of Spectrum X3-59-71-1
Synonyms (1R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-1-cyclohex-3-enol (1R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-3-en-1-ol (1R)-3,5,5-trimethyl-4-[(E,3R)-3-oxidanylbut-1-enyl]cyclohex-3-en-1-ol
Wiley ID 1606146