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Azacyclohexacosan-14-one, 1-(28,29-dihydroxybicyclo[25.3.1]hentriaconta-1(31),27,29-trien-31-yl)-, diacetate (ester)
SpectraBase Compound ID 9fyhAYvOdag
InChI InChI=1S/C60H105NO5/c1-53(62)65-58-52-55-46-40-34-28-22-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25-31-37-43-49-57(60(58)66-54(2)63)59(55)61-50-44-38-32-26-20-18-23-29-35-41-47-56(64)48-42-36-30-24-19-21-27-33-39-45-51-61/h52H,3-51H2,1-2H3
InChIKey WDVANNWESPXVLM-UHFFFAOYSA-N
Mol Weight 920.5 g/mol
Molecular Formula C60H105NO5
Exact Mass 919.799275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4J4crL28T6u
Name Azacyclohexacosan-14-one, 1-(28,29-dihydroxybicyclo[25.3.1]hentriaconta-1(31),27,29-trien-31-yl)-, diacetate (ester)
CAS Registry Number 15462-29-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C60H105NO5
InChI InChI=1S/C60H105NO5/c1-53(62)65-58-52-55-46-40-34-28-22-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-25-31-37-43-49-57(60(58)66-54(2)63)59(55)61-50-44-38-32-26-20-18-23-29-35-41-47-56(64)48-42-36-30-24-19-21-27-33-39-45-51-61/h52H,3-51H2,1-2H3
InChIKey WDVANNWESPXVLM-UHFFFAOYSA-N
Molecular Weight 920.502 g/mol
SMILES CC(=O)Oc1cc2CCCCCCCCCCCCCCCCCCCCCCCCCc(c2N2CCCCCCCCCCCCC(CCCCCCCCCCCC2)=O)c1OC(C)=O
SPLASH splash10-0a59-9300122221-095991876f6bdf6e8d42
Source of Spectrum T-67-5334-0
Synonyms 28-(Acetyloxy)-31-(14-oxoazacyclohexacosan-1-yl)bicyclo[25.3.1]hentriaconta-1(31),27,29-trien-29-yl acetate Azacyclohexacosan-14-one, 1-(28,29-dihydroxybicyclo[25.3.1]hentriaconta-1(31),27,29-trien-31-yl)-, diacetate Acetic acid [28-acetyloxy-31-(14-oxo-azacyclohexacos-1-yl)-29-bicyclo[25.3.1]hentriaconta-1(30),27(31),28-trienyl] ester [28-acetyloxy-31-(14-oxo-azacyclohexacos-1-yl)-29-bicyclo[25.3.1]hentriaconta-1(30),27(31),28-trienyl] acetate [28-acetoxy-31-(14-oxo-azacyclohexacos-1-yl)-29-bicyclo[25.3.1]hentriaconta-1(30),27(31),28-trienyl] acetate [28-acetyloxy-31-(14-oxidanylidene-1-azacyclohexacos-1-yl)-29-bicyclo[25.3.1]hentriaconta-1(30),27(31),28-trienyl] ethanoate
Wiley ID 67009