Debug Info

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hsTYwAUZLq
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hsTYwAUZLq
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Capsanthol - 3,6'-diacetate
SpectraBase Compound ID GkPPAApCbYI
InChI InChI=1S/C44H62O5/c1-31(19-15-21-33(3)23-25-40-35(5)27-39(48-36(6)45)30-42(40,8)9)17-13-14-18-32(2)20-16-22-34(4)24-26-41(49-37(7)46)44(12)29-38(47)28-43(44,10)11/h13-26,38-39,41,47H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t38-,39+,41+,44-/m0/s1
InChIKey PLFSJQJIAJDXFY-YIJPIFCJSA-N
Mol Weight 671.0 g/mol
Molecular Formula C44H62O5
Exact Mass 670.459725 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hsTYwAUZLq
Name Capsanthol 3,6'-diacetate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H62O5
InChI InChI=1S/C44H62O5/c1-31(19-15-21-33(3)23-25-40-35(5)27-39(48-36(6)45)30-42(40,8)9)17-13-14-18-32(2)20-16-22-34(4)24-26-41(49-37(7)46)44(12)29-38(47)28-43(44,10)11/h13-26,38-39,41,47H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t38-,39+,41+,44-/m0/s1
InChIKey PLFSJQJIAJDXFY-YIJPIFCJSA-N
Molecular Weight 670.975 g/mol
SMILES O[C@@]1(C[C@@]([C@@](\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C2=C(C[C@](CC2(C)C)(OC(=O)C)[H])C)C)C)C)C)(OC(=O)C)[H])(C(C1)(C)C)C)[H]
SPLASH splash10-0006-9300001000-94a345f0f17baf835c9e
Source of Spectrum H-85-2355-10
Synonyms .beta.,.kappa.-Carotene-3,3',6'-triol-3,6'-diacetate
Wiley ID 1524442
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