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(all-E,3R)-3-Hydroxy-6'-apo-beta-caroten-6'-al

View entire compound with spectra: 1 MS (GC)

(all-E,3R)-3-Hydroxy-6'-apo-beta-caroten-6'-al
SpectraBase Compound ID EAxGo0srQMT
InChI InChI=1S/C32H42O2/c1-25(15-10-17-27(3)19-12-22-33)13-8-9-14-26(2)16-11-18-28(4)20-21-31-29(5)23-30(34)24-32(31,6)7/h8-22,30,34H,23-24H2,1-7H3/b9-8+,15-10+,16-11+,19-12+,21-20+,25-13+,26-14+,27-17+,28-18+/t30-/m1/s1
InChIKey XKHIQCGFLUMFAH-MPWWCMQKSA-N
Mol Weight 458.7 g/mol
Molecular Formula C32H42O2
Exact Mass 458.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kkf4Q3avK2e
Name (all-E,3R)-3-Hydroxy-6'-apo-beta-caroten-6'-al
Alternate Name(s) Aesculaxanthin (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H42O2
InChI InChI=1S/C32H42O2/c1-25(15-10-17-27(3)19-12-22-33)13-8-9-14-26(2)16-11-18-28(4)20-21-31-29(5)23-30(34)24-32(31,6)7/h8-22,30,34H,23-24H2,1-7H3/b9-8+,15-10+,16-11+,19-12+,21-20+,25-13+,26-14+,27-17+,28-18+/t30-/m1/s1
InChIKey XKHIQCGFLUMFAH-MPWWCMQKSA-N
Literature Reference DOI 10.1002_(SICI)1522-2675(19981007)81_10_1815
Molecular Weight 458.686 g/mol
SMILES O[C@]1(CC(C)(C)C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=O)C)C)C)C)=C(C)C1)[H]
SPLASH splash10-0a4i-0800900000-0a2cd5562bfb5d8c2441
Source of Spectrum H-81-1818-4
Wiley ID 1787447