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.beta.,.beta.-Carotene, 5',8'-epoxy-5,5',6,8'-tetrahydro-3,3',5,6-tetrahydroxy-, (3S,3'S,5R,5'R,6R)-
SpectraBase Compound ID 8A84S5NVj4y
InChI InChI=1S/C40H58O5/c1-28(17-13-18-30(3)21-22-40(44)37(7,8)25-33(42)27-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)45-34/h11-23,32-34,41-44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40+/m0/s1
InChIKey WWUKNXCHIOGECP-CXISCKFDSA-N
Mol Weight 618.9 g/mol
Molecular Formula C40H58O5
Exact Mass 618.428425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lhm8tLB9IWL
Name .beta.,.beta.-Carotene, 5',8'-epoxy-5,5',6,8'-tetrahydro-3,3',5,6-tetrahydroxy-, (3S,3'S,5R,5'R,6R)-
CAS Registry Number 95119-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H58O5
InChI InChI=1S/C40H58O5/c1-28(17-13-18-30(3)21-22-40(44)37(7,8)25-33(42)27-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)34-23-35-36(5,6)24-32(41)26-38(35,9)45-34/h11-23,32-34,41-44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34?,38+,39+,40+/m0/s1
InChIKey WWUKNXCHIOGECP-CXISCKFDSA-N
Molecular Weight 618.899 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\(C2O[C@]3(C(=C2)C(C)(C)C[C@@](C3)(O)[H])C)C)C)C)C)(C(C1)(C)C)O)(O)C)[H]
SPLASH splash10-00di-0491001000-580561932d20f5dff89d
Source of Spectrum H-67-2154-0
Synonyms (1R,2R,4S)-1-{(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl]-3,7,12-trimethyl-1,3,5,7,9,11,13,15-heptadecaoctaenyl}-2,6,6-trimethyl-1,2,4-cyclohexanetriol (8'S)-latochrome or (8'R)-latochrome Latochrome
Wiley ID 1411458