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Cucurbitaxanthin A
SpectraBase Compound ID 3SzqAaRIZ9O
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+/m1/s1
InChIKey LMIFPRVTIOZTJN-RUHSDIBZSA-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 AzYmtsr9goq
Name 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+/m1/s1
InChIKey LMIFPRVTIOZTJN-RUHSDIBZSA-N
Molecular Weight 584.885 g/mol
SMILES O[C@]1(CC(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@]23O[C@@](C[C@]3(O)C)(CC2(C)C)[H])C)C)C)C)=C(C1)C)(C)C)[H]
SPLASH splash10-001r-0220090000-7361862f3f4ef2253d4a
Source of Spectrum H-74-824-4
Synonyms (1S,2R,4R)-1-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
Wiley ID 1789268