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(13S,14S)-13,14-Dihydroxyretinol p-methoxybenzoate
SpectraBase Compound ID HeEC4X0QUM9
InChI InChI=1S/C28H38O5/c1-20(11-16-24-21(2)10-8-17-27(24,3)4)9-7-18-28(5,31)25(29)19-33-26(30)22-12-14-23(32-6)15-13-22/h7,9,11-16,18,25,29,31H,8,10,17,19H2,1-6H3/b16-11+,18-7+,20-9+/t25-,28-/m0/s1
InChIKey UHKDDLQDDTYHJC-YQCVYRCZSA-N
Mol Weight 454.6 g/mol
Molecular Formula C28H38O5
Exact Mass 454.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfJDUvLBjoa
Name (13S,14S)-13,14-Dihydroxyretinol p-methoxybenzoate
Alternate Name(s) (13S,14S)-13,14-dihydroxy-O(15)-(4-methoxybenzoyl)-13,14-dihydroretinol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O5
InChI InChI=1S/C28H38O5/c1-20(11-16-24-21(2)10-8-17-27(24,3)4)9-7-18-28(5,31)25(29)19-33-26(30)22-12-14-23(32-6)15-13-22/h7,9,11-16,18,25,29,31H,8,10,17,19H2,1-6H3/b16-11+,18-7+,20-9+/t25-,28-/m0/s1
InChIKey UHKDDLQDDTYHJC-YQCVYRCZSA-N
Molecular Weight 454.607 g/mol
SMILES O[C@]([C@](\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)(O)C)(COC(c1ccc(cc1)OC)=O)[H]
SPLASH splash10-000i-2920000000-7a45f0cdfe53a7eb6b47
Source of Spectrum KD-15-844-10
Wiley ID 1636871