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Capsanthol 6'-acetate
SpectraBase Compound ID FLUoVXjq3tL
InChI InChI=1S/C42H60O4/c1-30(18-14-20-32(3)22-24-38-34(5)26-36(44)27-40(38,7)8)16-12-13-17-31(2)19-15-21-33(4)23-25-39(46-35(6)43)42(11)29-37(45)28-41(42,9)10/h12-25,36-37,39,44-45H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-,37+,39-,42+/m1/s1
InChIKey LZTVIZJKZAYIEC-TVTJUFDMSA-N
Mol Weight 628.9 g/mol
Molecular Formula C42H60O4
Exact Mass 628.44916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM2dBtbGsYZ
Name Capsanthol 6'-acetate
Alternate Name(s) .beta.,.kappa.-Carotene-3,3',6'-triol-6'-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H60O4
InChI InChI=1S/C42H60O4/c1-30(18-14-20-32(3)22-24-38-34(5)26-36(44)27-40(38,7)8)16-12-13-17-31(2)19-15-21-33(4)23-25-39(46-35(6)43)42(11)29-37(45)28-41(42,9)10/h12-25,36-37,39,44-45H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21+/t36-,37+,39-,42+/m1/s1
InChIKey LZTVIZJKZAYIEC-TVTJUFDMSA-N
Molecular Weight 628.938 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)(OC(=O)C)[H])C)C)C)C)C(C1)(C)C)C)[H]
SPLASH splash10-0006-9500000000-0d37032fd56ef16d9312
Source of Spectrum H-85-2356-12
Wiley ID 1524438