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Megastigma-5,7-diene-3,4,9-triol
SpectraBase Compound ID AK6BFND2xjc
InChI InChI=1S/C13H22O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,8,11-12,14-16H,7H2,1-4H3/b6-5+
InChIKey HODWUFMHAGVDJY-AATRIKPKSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lS3gH3UJds
Name Megastigma-5,7-diene-3,4,9-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,8,11-12,14-16H,7H2,1-4H3/b6-5+
InChIKey HODWUFMHAGVDJY-AATRIKPKSA-N
Molecular Weight 226.316 g/mol
SMILES OC1C(=C(\C=C\C(O)C)C(CC1O)(C)C)C
SPLASH splash10-0006-9700000000-f50cd8c6ec2f4459c927
Source of Spectrum LQ-1992-4125-0
Synonyms 4-[(1E)-3-hydroxy-1-butenyl]-3,5,5-trimethyl-3-cyclohexene-1,2-diol 4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol 3,5,5-trimethyl-4-[(E)-3-oxidanylbut-1-enyl]cyclohex-3-ene-1,2-diol
Wiley ID 1227570