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Capsanthin

View entire compound with spectra: 1 MS (GC)

Capsanthin
SpectraBase Compound ID 9cBm7E4ZsuU
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+/m0/s1
InChIKey VYIRVAXUEZSDNC-RDRUCRJNSA-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 BZgWs5UuHjp
Name Capsanthin
Alternate Name(s) (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-1-[(1S,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-1-nonadeca-2,4,6,8,10,12,14,16,18-nonaenone (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4S)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-1-[(1S,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-19-[(4S)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1S,4S)-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one (3R,3'S,5'R)-3,3'-dihydroxy-beta,kappa-caroten-6'-one 3,3'-Dihydroxy-beta,kappa-caroten-6'one all-trans-Capsanthin beta,kappa-caroten-6'one, 3,3'dihydroxy- Capsanthin/capsorubin Paprika extract EINECS 207-364-1
CAS Registry Number 465-42-9
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+/m0/s1
InChIKey VYIRVAXUEZSDNC-RDRUCRJNSA-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([C@]2(C[C@](CC2(C)C)(O)[H])C)=O)C)C)C)C)C(C1)(C)C)C)[H]
SPLASH splash10-0a4l-6900000000-6c79cf424e3b2d3bda2b
Source of Spectrum KO-5-644-2
Wiley ID 1408909