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(9Z,9'Z)-diepikarpoxanthin

View entire compound with spectra: 2 MS (GC)

(9Z,9'Z)-diepikarpoxanthin
SpectraBase Compound ID ABHIVe1Gv1L
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/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m1/s1
InChIKey DJOWTWWHMWQATC-SCHCRGGZSA-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 ECA1An34US5
Name (9Z,9'Z)-diepikarpoxanthin
Alternate Name(s) (2S,5S,6S,3'R)-5,6-Dihydro-.beta.,.beta.-carotene-3,5,6,3'-tetrol (3S,3'R,5S,6S)-5,6-dihydro-beta,.beta.-carotene-3,3',5,6-tetrol (9Z, 9' Z)-Diepikarpoxanthin 5,6-Dihydro-.beta.,.beta.-carotene-3,5,6,3'-tetrol
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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/h11-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39+,40+/m1/s1
InChIKey DJOWTWWHMWQATC-SCHCRGGZSA-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\C1=C(C[C@](CC1(C)C)(O)[H])C)C)C)C)C)O)(O)C)[H]
SPLASH splash10-0ff0-1440092000-cfe3a784a72c053f0821
Source of Spectrum H-81-1240-13
Wiley ID 1410361