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.beta.,.epsilon.-Carotene, 5,6-dihydro-3,3',5,6-tetrahydroxy-, (3S,3'R,5R,6R,6'R)-
SpectraBase Compound ID 6fyc5KlEhGX
InChI InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-25,34-36,41-44H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40+/m0/s1
InChIKey FJRIGPREPNIRNO-KDMUUVLJSA-N
Mol Weight 602.9 g/mol
Molecular Formula C40H58O4
Exact Mass 602.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mFDphnbSDG
Name .beta.,.epsilon.-Carotene, 5,6-dihydro-3,3',5,6-tetrahydroxy-, (3S,3'R,5R,6R,6'R)-
CAS Registry Number 96242-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H58O4
InChI InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-25,34-36,41-44H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40+/m0/s1
InChIKey FJRIGPREPNIRNO-KDMUUVLJSA-N
Molecular Weight 602.900 g/mol
SMILES O[C@@]1(C[C@]([C@](C(C1)(C)C)(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@]1(C(=C[C@@](CC1(C)C)(O)[H])C)[H])C)C)C)C)O)(O)C)[H]
SPLASH splash10-0006-9100000000-f848c48b27a3f3618eca
Source of Spectrum H-67-2055-0
Synonyms .beta.,.epsilon.-Carotene, 5,6-dihydro-3,3',5,6-tetrahydroxy-, (3S,3'R,5R,6S,6'R)- (3S,3'R,5R,6R,6'R)-4',5'-didehydro-5,5',6,6'-tetrahydro-beta,.beta.-carotene-3,3',5,6-tetrol (3S,5R,6R,3'R,6'R)-5,6-dihydro-.beta.,.epsilon.-Carotine-3,5,6,3'-tetrol C(6)-epimer of (3S,5R,6R,3'R,6'R)-5,6-dihydro-.beta.,.epsilon.-Carotin-3,5,6,3'-tetrol
Wiley ID 1410355