John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4DyLYfxoGbF

(accessed ).
P-457-OCTAACETATE
SpectraBase Compound ID 4DyLYfxoGbF
InChI InChI=1S/C68H92O23/c1-39(23-20-24-40(2)28-29-55-64(12,13)32-51(81-44(6)72)34-66(55,16)78)22-18-19-26-50(36-69)27-21-25-41(3)30-31-68-65(14,15)33-52(35-67(68,17)91-68)87-62-60(85-48(10)76)59(84-47(9)75)57(54(88-62)38-80-43(5)71)90-63-61(86-49(11)77)58(83-46(8)74)56(82-45(7)73)53(89-63)37-79-42(4)70/h18-28,36,51-54,56-63,78H,30-35,37-38H2,1-17H3/b19-18+,23-20+,27-21+,39-22+,40-24+,41-25+,50-26-/t29?,51-,52-,53+,54-,56-,57-,58-,59+,60-,61+,62-,63-,66+,67+,68-/m1/s1
InChIKey GZGKDSOONPINNS-SDTQEDHNSA-N
Mol Weight 1277.5 g/mol
Molecular Formula C68H92O23
Exact Mass 1276.60294 g/mol
Enantiomer InChIKey GZGKDSOONPINNS-COXSOBOPSA-N
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Structure Elucidation of the Algal Carotenoid (3S,5R,6R,3'S,5'R,6'S)-13'-cis-7',8'-Dihydroneoxanthin-20'-al 3'-β-lactoside (P457). Part 2, Nmr Studies Journal of Natural Products 1995
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