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GLYCORIC_ACID;(7-E,3-R*,5-S*,6-R*)-3,6-DIHYDROXY-10-NORMEGASTIGM-7-EN-9-OIC_ACID
SpectraBase Compound ID B8o03j9cikQ
InChI InChI=1S/C12H20O4/c1-8-6-9(13)7-11(2,3)12(8,16)5-4-10(14)15/h4-5,8-9,13,16H,6-7H2,1-3H3,(H,14,15)/b5-4+/t8-,9+,12-/m0/s1
InChIKey XQMQNQUWBFJLCF-YICOTJJRSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EV7rrDakQ6Q
Name (7E,3R*,5S*,6R*)-3,6-dihydroxy-10-normegastigm-7-en-9-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-8-6-9(13)7-11(2,3)12(8,16)5-4-10(14)15/h4-5,8-9,13,16H,6-7H2,1-3H3,(H,14,15)/b5-4+/t8-,9+,12-/m0/s1
InChIKey XQMQNQUWBFJLCF-YICOTJJRSA-N
Molecular Weight 228.288 g/mol
SMILES O[C@]1(CC([C@@]([C@](C1)(C)[H])(\C=C\C(=O)O)O)(C)C)[H]
SPLASH splash10-0fi0-0900000000-1fac23f5e9dbecc70f15
Source of Spectrum E1-44-1421-1
Synonyms (E)-3-[(1R,4R,6S)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-2-propenoic acid (E)-3-[(1R,4R,6S)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]prop-2-enoic acid (E)-3-[(1R,4R,6S)-1,4-dihydroxy-2,2,6-trimethyl-cyclohexyl]prop-2-enoic acid (E)-3-[(1R,4R,6S)-2,2,6-trimethyl-1,4-bis(oxidanyl)cyclohexyl]prop-2-enoic acid
Wiley ID 1553479