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2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl)-, acetate
SpectraBase Compound ID 2rGWhL20A4
InChI InChI=1S/C55H84O3/c1-41(2)22-14-23-42(3)24-15-25-43(4)26-16-27-44(5)28-17-29-45(6)30-18-31-46(7)32-19-33-47(8)34-20-35-48(9)36-21-38-55(13)39-37-52-40-53(57-51(12)56)49(10)50(11)54(52)58-55/h22,24,26,28,30,32,34,36,40H,14-21,23,25,27,29,31,33,35,37-39H2,1-13H3/b42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+
InChIKey IVSPZLMWPDBXJX-PLQUMFJBSA-N
Mol Weight 793.3 g/mol
Molecular Formula C55H84O3
Exact Mass 792.642047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1W4r1xQhFqN
Name 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl)-, acetate
CAS Registry Number 56282-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C55H84O3
InChI InChI=1S/C55H84O3/c1-41(2)22-14-23-42(3)24-15-25-43(4)26-16-27-44(5)28-17-29-45(6)30-18-31-46(7)32-19-33-47(8)34-20-35-48(9)36-21-38-55(13)39-37-52-40-53(57-51(12)56)49(10)50(11)54(52)58-55/h22,24,26,28,30,32,34,36,40H,14-21,23,25,27,29,31,33,35,37-39H2,1-13H3/b42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+
InChIKey IVSPZLMWPDBXJX-PLQUMFJBSA-N
Molecular Weight 793.274 g/mol
SMILES c12c(c(C)c(cc2CCC(O1)(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)C)C)OC(=O)C)C
SPLASH splash10-001i-6590000100-f23549d35fbb43243ae1
Source of Spectrum W-18-515-17
Synonyms 2,7,8-trimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaenyl]-3,4-dihydro-2H-chromen-6-yl acetate Plastochromanol-8-O-acetyl derivative
Wiley ID 1417060