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(all E)-(3S)-7'-Apohopkinsiaxanthin 3-acetate
SpectraBase Compound ID 8LACg6PED9v
InChI InChI=1S/C33H40O4/c1-23(14-10-11-15-24(2)18-13-19-26(4)28(6)34)16-12-17-25(3)20-21-30-27(5)32(36)31(37-29(7)35)22-33(30,8)9/h10-19,31H,22H2,1-9H3/b11-10+,16-12+,18-13+,23-14+,24-15+,25-17+,26-19+/t31-/m0/s1
InChIKey BTXUHSXTSISLTA-NLQLCBSSSA-N
Mol Weight 500.7 g/mol
Molecular Formula C33H40O4
Exact Mass 500.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JutapUAHoqT
Name (all E)-(3S)-7'-Apohopkinsiaxanthin 3-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40O4
InChI InChI=1S/C33H40O4/c1-23(14-10-11-15-24(2)18-13-19-26(4)28(6)34)16-12-17-25(3)20-21-30-27(5)32(36)31(37-29(7)35)22-33(30,8)9/h10-19,31H,22H2,1-9H3/b11-10+,16-12+,18-13+,23-14+,24-15+,25-17+,26-19+/t31-/m0/s1
InChIKey BTXUHSXTSISLTA-NLQLCBSSSA-N
Molecular Weight 500.679 g/mol
SMILES C1(=C(C(=O)[C@](CC1(C)C)(OC(=O)C)[H])C)C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(=O)C)C)C)C)C
SPLASH splash10-0006-9200000000-2c6e7137ae3360dd9702
Source of Spectrum SB-51-1216-35
Synonyms (1S)-3,5,5-trimethyl-2-oxo-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxo-3,5,7,9,11,13,15-octadecaheptaen-1-ynyl]-3-cyclohexen-1-yl acetate
Wiley ID 1398988