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(3R,3'S,5'R)-Capsanthin

View entire compound with spectra: 1 MS (GC)

(3R,3'S,5'R)-Capsanthin
SpectraBase Compound ID GcmHavwEgpS
InChI InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
InChIKey VYIRVAXUEZSDNC-RDJLEWNRSA-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 JvOdLGu6EQ1
Name (3R,3'S,5'R)-Capsanthin
Alternate Name(s) (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-((1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl)-19-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O3
InChI InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
InChIKey VYIRVAXUEZSDNC-RDJLEWNRSA-N
Literature Reference DOI 10.1002/hlca.19830660706
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([C@@]2(C[C@](CC2(C)C)(O)[H])C)=O)C)C)C)C)=C(C1)C)(C)C)[H]
SPLASH splash10-0a7i-4900240000-e619b145ab77abbf8746
Source of Spectrum H-66-1958-1
Wiley ID 1797618