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Isofucoxanthinol

View entire compound with spectra: 1 MS (GC)

Isofucoxanthinol
SpectraBase Compound ID IcTW9s7BDjQ
InChI InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36-38(7,8)25-33(42)27-40(36,10)45/h11-21,23,32-33,41-42,44-45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-23+/t22?,32-,33-,39+,40+/m0/s1
InChIKey MMJDJIJUPVPKSW-NYHICDMRSA-N
Mol Weight 616.9 g/mol
Molecular Formula C40H56O5
Exact Mass 616.412775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I07e6oLq1of
Name Isofucoxanthinol
Alternate Name(s) (3S,3'S,5R,5'R,6E)-3,3',5,5'-tetrahydroxy-6,6',7,7'-tetradehydro-5,5',6,6',7,8-hexahydro-beta,.beta.-caroten-8-one Isofucoxanthinol hemiketal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O5
InChI InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)23-36-38(7,8)25-33(42)27-40(36,10)45/h11-21,23,32-33,41-42,44-45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-23+/t22?,32-,33-,39+,40+/m0/s1
InChIKey MMJDJIJUPVPKSW-NYHICDMRSA-N
Molecular Weight 616.883 g/mol
SMILES O[C@@]1(C[C@](C(=C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(\C=C\2[C@@](C[C@](CC2(C)C)(O)[H])(O)C)=O)C)C)C)C)C(C1)(C)C)(O)C)[H]
SPLASH splash10-00dj-0360092000-989630f4b2e0c2646589
Source of Spectrum SB-46-623-4
Wiley ID 1411350