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(9Z)-Cucurbitaxanthin A
SpectraBase Compound ID KFIThWbjuY0
InChI InChI=1S/C40H56O3/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)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-24,34-35,41-42H,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-/m0/s1
InChIKey LMIFPRVTIOZTJN-CULFKSDVSA-N
Mol Weight 584.9 g/mol
Molecular Formula C40H56O3
Exact Mass 584.422946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ulDXhCuGLV
Name (9Z)-Cucurbitaxanthin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O3
InChI InChI=1S/C40H56O3/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)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-24,34-35,41-42H,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-/m0/s1
InChIKey LMIFPRVTIOZTJN-CULFKSDVSA-N
Molecular Weight 584.885 g/mol
SMILES O[C@]1([C@@]2(\C=C\C(=C/C=C/C(=C/C=C/C=C/(\C=C\C=C\(\C=C\C=3C(C[C@](CC3C)(O)[H])(C)C)C)C)C)C)OC(C1)CC2(C)C)C
SPLASH splash10-01s6-9730050000-291a86dd01082845f9be
Source of Spectrum H-83-1539-2
Synonyms (1S,2R)-1-{(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl}-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol (9Z)-3,6-Epoxy-5,6-dihydro-.beta.,.beta.-carotene-5,3'-diol
Wiley ID 847155