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(2R)-3-hydroxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-nonadeca-2,6,13,17-tetraenoxy]propanoic acid
SpectraBase Compound ID Kt6wXpTVQv7
InChI InChI=1S/C28H46O4/c1-22(2)11-10-13-23(3)14-15-25(5)16-19-28(6,7)18-9-8-12-24(4)17-20-32-26(21-29)27(30)31/h9,11,14,17-18,26,29H,5,8,10,12-13,15-16,19-21H2,1-4,6-7H3,(H,30,31)/b18-9+,23-14+,24-17-/t26-/m1/s1
InChIKey XTRCUKIHBOLGFC-JMCNSKCBSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Apowaj7WGk
Name (2R)-3-hydroxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-nonadeca-2,6,13,17-tetraenoxy]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-22(2)11-10-13-23(3)14-15-25(5)16-19-28(6,7)18-9-8-12-24(4)17-20-32-26(21-29)27(30)31/h9,11,14,17-18,26,29H,5,8,10,12-13,15-16,19-21H2,1-4,6-7H3,(H,30,31)/b18-9+,23-14+,24-17-/t26-/m1/s1
InChIKey XTRCUKIHBOLGFC-JMCNSKCBSA-N
Molecular Weight 446.672 g/mol
SMILES OC[C@](C(=O)O)(OC\C=C/(CC\C=C\C(CCC(=C)C\C=C\(CCC=C(C)C)C)(C)C)C)[H]
SPLASH splash10-014i-9010000000-564ce7c93ce460767df2
Source of Spectrum F-48-8410-3
Synonyms (2R)-3-hydroxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-nonadeca-2,6,13,17-tetraenoxy]propionic acid (2R)-3-hydroxy-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraenoxy]propanoic acid (2R)-3-oxidanyl-2-[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidene-nonadeca-2,6,13,17-tetraenoxy]propanoic acid
Wiley ID 1386791