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(all-E,3R)-6'Apo-beta-carotene-3,6'-diol
SpectraBase Compound ID Ey2IBLAHHmd
InChI InChI=1S/C32H44O2/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/h8-21,30,33-34H,22-24H2,1-7H3/b9-8+,15-10+,16-11+,19-12+,21-20+,25-13+,26-14+,27-17+,28-18+/t30-/m1/s1
InChIKey UKMDUGPSKIYGBX-MPWWCMQKSA-N
Mol Weight 460.7 g/mol
Molecular Formula C32H44O2
Exact Mass 460.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HB2viYdCxT3
Name (all-E,3R)-6'Apo-beta-carotene-3,6'-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H44O2
InChI InChI=1S/C32H44O2/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/h8-21,30,33-34H,22-24H2,1-7H3/b9-8+,15-10+,16-11+,19-12+,21-20+,25-13+,26-14+,27-17+,28-18+/t30-/m1/s1
InChIKey UKMDUGPSKIYGBX-MPWWCMQKSA-N
Literature Reference DOI 10.1002_(SICI)1522-2675(19981007)81_10_1815
Molecular Weight 460.702 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\CO)C)C)C)C)C(C1)(C)C)C)[H]
SPLASH splash10-03xr-0603900000-843206a6efafcbb664a3
Source of Spectrum H-81-1819-6
Synonyms Aesculaxanthol (R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-3,5,5-trimethylcyclohex-3-en-1-ol
Wiley ID 1787448